smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCCCCCCCCCNC1=O)P(=O)([O-])[O-]	ZINC000003785378	562937924	/nfs/dbraw/zinc/93/79/24/562937924.db2.gz	JANOCMLVAXHACE-CEXWTWQISA-N	-1	0	447.557	3.030	1	0		IGAFRM
C/C=C\[C@H](CC(=O)[O-])CC(=O)NCC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21	ZINC000005923623	562945388	/nfs/dbraw/zinc/94/53/88/562945388.db2.gz	YPSYYNPWNICDRZ-MPILUDMGSA-N	-1	0	448.463	3.003	1	0		IGAFRM
O=C([O-])Cc1ccccc1OCC[C@H]1Oc2ccccc2N(CCCCCCO)C1=O	ZINC000012358410	562981731	/nfs/dbraw/zinc/98/17/31/562981731.db2.gz	NHWYNBPDGCEJRZ-JOCHJYFZSA-N	-1	0	427.497	3.430	1	0		IGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc21	ZINC000013178779	562985596	/nfs/dbraw/zinc/98/55/96/562985596.db2.gz	TYWHEEMWRPBBJX-CMDGGOBGSA-N	-1	0	449.482	3.221	1	0		IGAFRM
CCc1c(Cc2ccc3ccccc3c2)n2cccc(OCC(=O)[O-])c2c1C(=O)C(N)=O	ZINC000013758467	563004682	/nfs/dbraw/zinc/00/46/82/563004682.db2.gz	LJMISVQBZNJJDW-UHFFFAOYSA-N	-1	0	430.460	3.377	1	0		IGAFRM
O=C([O-])CCc1cc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc(Cn2ccnc2)c1	ZINC000013765904	563005593	/nfs/dbraw/zinc/00/55/93/563005593.db2.gz	KIDWBDAXUAZZFC-UHFFFAOYSA-N	-1	0	447.944	3.123	1	0		IGAFRM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1	ZINC000013778458	563006011	/nfs/dbraw/zinc/00/60/11/563006011.db2.gz	WUMGWKJNFKXXRX-OAQYLSRUSA-N	-1	0	438.505	3.222	1	0		IGAFRM
O=C([O-])[C@@H]1CCCN1C(=O)C[C@H](SC(=O)c1ccccc1)C(=O)c1cccc(F)c1	ZINC000027311307	563041396	/nfs/dbraw/zinc/04/13/96/563041396.db2.gz	WLGHXEUSLXKRDG-ROUUACIJSA-N	-1	0	429.469	3.416	1	0		IGAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([C@H](O)C(=O)[O-])cc1	ZINC000027870183	563047647	/nfs/dbraw/zinc/04/76/47/563047647.db2.gz	RMZFEJHUEFKIBK-GHTZIAJQSA-N	-1	0	426.469	3.068	1	0		IGAFRM
O=C([O-])COCCCCS(=O)(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000028871603	563067507	/nfs/dbraw/zinc/06/75/07/563067507.db2.gz	SLSUVNGPGBOVSA-UHFFFAOYSA-N	-1	0	426.494	3.466	1	0		IGAFRM
COc1ccc(Cn2c3scnc3c([O-])c(C(=O)NCc3ccc(F)cc3)c2=O)cc1	ZINC000035010311	563088785	/nfs/dbraw/zinc/08/87/85/563088785.db2.gz	LYUYNFHPPKZKGN-UHFFFAOYSA-N	-1	0	439.468	3.290	1	0		IGAFRM
C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCc2cccc3ccccc32)cc1	ZINC000040404403	563101184	/nfs/dbraw/zinc/10/11/84/563101184.db2.gz	PIVNGXBEHZASHC-QFIPXVFZSA-N	-1	0	444.424	3.227	1	0		IGAFRM
CSCC[C@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2n1C)C(=O)[O-]	ZINC000040411383	563101794	/nfs/dbraw/zinc/10/17/94/563101794.db2.gz	LOJLGEFJUZEBHO-KRWDZBQOSA-N	-1	0	425.510	3.367	1	0		IGAFRM
NC(=O)Cc1ccc(NC(=O)/C=C2\C[C@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040718600	563106060	/nfs/dbraw/zinc/10/60/60/563106060.db2.gz	GPVLGJBGKMXGQG-AYAUWGRQSA-N	-1	0	434.279	3.312	1	0		IGAFRM
Nc1cc2c(O)c(C(=O)[O-])cnc2cc1N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000040957859	563114821	/nfs/dbraw/zinc/11/48/21/563114821.db2.gz	XRDRNQMMJYXWGT-UHFFFAOYSA-N	-1	0	432.402	3.154	1	0		IGAFRM
CN1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3C2CC2)C[C@H]1c1ccccc1	ZINC000058566625	563144595	/nfs/dbraw/zinc/14/45/95/563144595.db2.gz	QHJLWYFWLQLCPM-QFIPXVFZSA-N	-1	0	448.479	3.436	1	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc2ccccc21	ZINC000061895773	563147161	/nfs/dbraw/zinc/14/71/61/563147161.db2.gz	WASDRRWSGYXMFU-JOCHJYFZSA-N	-1	0	426.469	3.089	3	0		IGAFRM
CC(C)(C(=O)N1CC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1	ZINC000061928785	563150448	/nfs/dbraw/zinc/15/04/48/563150448.db2.gz	INVUWUIHKDENFY-IBGZPJMESA-N	-1	0	440.974	3.175	3	0		IGAFRM
NS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2O[C@@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1	ZINC000064573051	563156425	/nfs/dbraw/zinc/15/64/25/563156425.db2.gz	JGPRUEXSKNEPHR-OAHLLOKOSA-N	-1	0	433.791	3.446	1	0		IGAFRM
CN([C@@H]1CCc2c(CC(=O)[O-])c3ccc(F)cc3n2C1)S(=O)(=O)c1ccc(F)cc1	ZINC000066101604	563158350	/nfs/dbraw/zinc/15/83/50/563158350.db2.gz	LUSAWDRMCLUELC-OAHLLOKOSA-N	-1	0	434.464	3.182	1	0		IGAFRM
NS(=O)(=O)c1ccc(N2N=C(c3n[n-]c(=S)o3)C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000073129797	563168645	/nfs/dbraw/zinc/16/86/45/563168645.db2.gz	QUNNNXGQODMRNO-HNNXBMFYSA-N	-1	0	435.918	3.015	1	0		IGAFRM
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1[N-]C(=O)c1cc(CC)on1	ZINC000073221182	563170511	/nfs/dbraw/zinc/17/05/11/563170511.db2.gz	HGVIRYRWXZFDIP-UHFFFAOYSA-N	-1	0	428.445	3.429	1	0		IGAFRM
CCCc1nc(C)c(CC(=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000073278031	563171752	/nfs/dbraw/zinc/17/17/52/563171752.db2.gz	YBWXRBAMLMBEIU-UHFFFAOYSA-N	-1	0	444.495	3.027	1	0		IGAFRM
CCOC(=O)c1cc2cc(-c3cc(C(=O)NCc4ccc(C(=O)[O-])cc4)nn3C)ccc2[nH]1	ZINC000082156775	563173633	/nfs/dbraw/zinc/17/36/33/563173633.db2.gz	MMJPVSDTLGFIQW-UHFFFAOYSA-N	-1	0	446.463	3.373	1	0	in-vitro	IGAFRM
COc1ccc2c(Cc3cc(=O)n4c(c3C3CC3)SC[C@H]4C(=O)[O-])cc(=O)oc2c1	ZINC000084652051	563174881	/nfs/dbraw/zinc/17/48/81/563174881.db2.gz	QLFMXZBNRFYLKS-INIZCTEOSA-N	-1	0	425.462	3.163	1	0		IGAFRM
CCC[C@@H](C)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000095580003	563187168	/nfs/dbraw/zinc/18/71/68/563187168.db2.gz	PALCPFLMTHCBEP-CQSZACIVSA-N	-1	0	429.492	3.259	1	0		IGAFRM
O=C([O-])COCCCCN1C(=O)CC[C@@H]1/C=C/[C@@H](O)Cc1cccc(C(F)(F)F)c1	ZINC000003990876	562940517	/nfs/dbraw/zinc/94/05/17/562940517.db2.gz	MVSJYHSXLYISPF-JFDVKVQISA-N	-1	0	429.435	3.037	1	0		IGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccccc1Br	ZINC000013807271	563008489	/nfs/dbraw/zinc/00/84/89/563008489.db2.gz	WFXQCDCLSNIHRG-GOEBONIOSA-N	-1	0	435.322	3.247	1	0		IGAFRM
Cn1c(COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc2cc(Br)cnc21	ZINC000026819659	563036818	/nfs/dbraw/zinc/03/68/18/563036818.db2.gz	WJZRMYZKBUVZEH-AWEZNQCLSA-N	-1	0	447.314	3.204	1	0		IGAFRM
O=C([O-])c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)c1	ZINC000028817870	563064771	/nfs/dbraw/zinc/06/47/71/563064771.db2.gz	IBQMNSDSSIMLRF-INIZCTEOSA-N	-1	0	443.308	3.483	1	0		IGAFRM
C/C(Br)=C\CC/C(C)=C/CC(C)(C)/C=C/C(=O)N[C@@H](CC(N)=O)C(=O)[O-]	ZINC000028878912	563067740	/nfs/dbraw/zinc/06/77/40/563067740.db2.gz	WFBKWHQOULOXIK-INVKCHFXSA-N	-1	0	429.355	3.429	1	0		IGAFRM
CCC(=O)O[C@]12CCC(C(=O)OC)=CC[C@]13CC[C@H]2[C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O	ZINC000028966635	563070950	/nfs/dbraw/zinc/07/09/50/563070950.db2.gz	USXZUUGIHLNJMW-QNSGMBKMSA-N	-1	0	446.496	3.261	1	0		IGAFRM
CCCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nnn(C)c1C(=O)[O-]	ZINC000029408380	563079684	/nfs/dbraw/zinc/07/96/84/563079684.db2.gz	MSPMKRCBAZECMQ-UHFFFAOYSA-N	-1	0	432.488	3.167	1	0		IGAFRM
O=C([O-])c1cccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)c1	ZINC000040763435	563106479	/nfs/dbraw/zinc/10/64/79/563106479.db2.gz	DUOKNJQUBFCDBN-UHFFFAOYSA-N	-1	0	446.459	3.212	1	0		IGAFRM
COC(=O)c1c(O)cccc1OCCCC(=O)Nc1cccc(-c2cc(C(=O)[O-])no2)c1	ZINC000043122224	563119002	/nfs/dbraw/zinc/11/90/02/563119002.db2.gz	LBHPOYHLFJDNGZ-UHFFFAOYSA-N	-1	0	440.408	3.330	1	0		IGAFRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061907064	563148717	/nfs/dbraw/zinc/14/87/17/563148717.db2.gz	BIZIZQZYRVCDDZ-NRFANRHFSA-N	-1	0	446.956	3.176	3	0		IGAFRM
COc1ccc(C(C)=O)cc1CSc1nc2cc(S(C)(=O)=O)ccc2n1CC(=O)[O-]	ZINC000084757360	563179443	/nfs/dbraw/zinc/17/94/43/563179443.db2.gz	YWBPYANLXRRKTL-UHFFFAOYSA-N	-1	0	448.522	3.028	1	0		IGAFRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CNC(=O)Cc1ccccc1	ZINC000095872255	563194736	/nfs/dbraw/zinc/19/47/36/563194736.db2.gz	PBJOHFFEPUZDAJ-XPWALMASSA-N	-1	0	434.536	3.362	1	0		IGAFRM
C[C@H]1Cn2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(c32)S1	ZINC000001913704	132247615	/nfs/dbraw/zinc/24/76/15/132247615.db2.gz	FBQXENVDKYZVBX-ZDUSSCGKSA-N	-1	0	440.500	3.055	1	0		IGAFRM
CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@H]1c1ccc(Br)cc1	ZINC000013125886	562984917	/nfs/dbraw/zinc/98/49/17/562984917.db2.gz	IODPYTVEPBOYMC-INIZCTEOSA-N	-1	0	425.279	3.217	3	0		IGAFRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1	ZINC000013130227	562984936	/nfs/dbraw/zinc/98/49/36/562984936.db2.gz	FLPAENAULMRLDS-ZPWPBLDLSA-N	-1	0	443.459	3.344	3	0		IGAFRM
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)c1nc2c(cccc2OCC(=O)[O-])o1	ZINC000013438222	562986040	/nfs/dbraw/zinc/98/60/40/562986040.db2.gz	KGEBLJCYDQEPEP-SFHVURJKSA-N	-1	0	426.425	3.425	1	0		IGAFRM
Cc1c2cc(F)ccc2sc1S(=O)(=O)[N-]c1ccc(C=O)cc1S(C)(=O)=O	ZINC000013587583	562995721	/nfs/dbraw/zinc/99/57/21/562995721.db2.gz	IEDZVQZMBKBDGW-UHFFFAOYSA-N	-1	0	427.500	3.366	1	0		IGAFRM
O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CCN4CCC3CC4)c(F)cc2c1=O	ZINC000013650318	562999080	/nfs/dbraw/zinc/99/90/80/562999080.db2.gz	QPRZPTIWPFZPEH-UHFFFAOYSA-N	-1	0	425.435	3.252	1	0		IGAFRM
CN1C[C@@H]2C[C@H]1CN2c1c(F)cc2c(=O)c(C(=O)[O-])cn(-c3ccc(F)cc3F)c2c1F	ZINC000013650287	562999104	/nfs/dbraw/zinc/99/91/04/562999104.db2.gz	OCPHEJSKKMHBEG-RYUDHWBXSA-N	-1	0	447.388	3.138	1	0		IGAFRM
O=C([O-])CCc1cc(CCNS(=O)(=O)C2CCCCC2)cc(Cc2cccnc2)c1	ZINC000013765923	563005601	/nfs/dbraw/zinc/00/56/01/563005601.db2.gz	AEZWAALFFBECGR-UHFFFAOYSA-N	-1	0	430.570	3.484	1	0		IGAFRM
CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1nc(C)nnc1C(=O)[O-]	ZINC000013832806	563011386	/nfs/dbraw/zinc/01/13/86/563011386.db2.gz	HTAYJNQOXVXHQD-UHFFFAOYSA-N	-1	0	430.472	3.142	1	0		IGAFRM
O=C([O-])Cc1nn(Cc2nc3cccc(Br)c3s2)c(=O)c2ccccc12	ZINC000013860760	563012572	/nfs/dbraw/zinc/01/25/72/563012572.db2.gz	HDELGQNDAPEWPY-UHFFFAOYSA-N	-1	0	430.283	3.444	1	0		IGAFRM
O=S(=O)([N-]C[C@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F	ZINC000026189164	563029955	/nfs/dbraw/zinc/02/99/55/563029955.db2.gz	GOFVGMNCCZECDT-SFHVURJKSA-N	-1	0	426.416	3.286	1	0		IGAFRM
Cc1c(N2CC[C@H](NCC(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12	ZINC000027408622	563041906	/nfs/dbraw/zinc/04/19/06/563041906.db2.gz	MEMSRXGUYYACBM-LBPRGKRZSA-N	-1	0	427.398	3.053	1	0		IGAFRM
COc1ccc(-n2cc(C(=O)c3cc(Br)ccc3OCC(=O)[O-])cn2)cc1	ZINC000036127043	563091265	/nfs/dbraw/zinc/09/12/65/563091265.db2.gz	IPDACYXTBUWPEL-UHFFFAOYSA-N	-1	0	431.242	3.338	1	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1	ZINC000061904161	563148105	/nfs/dbraw/zinc/14/81/05/563148105.db2.gz	YFCADCJJEDRYRB-VWLOTQADSA-N	-1	0	448.544	3.392	3	0		IGAFRM
CN(Cc1ccc2occc2c1)c1nc(=O)[n-]c(Nc2ccccc2N2CCOCC2)n1	ZINC000064539166	563154999	/nfs/dbraw/zinc/15/49/99/563154999.db2.gz	ATXLOASTCOAZNE-UHFFFAOYSA-N	-1	0	432.484	3.128	1	0		IGAFRM
COc1nc2c(cc1NCc1ccccc1F)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C	ZINC000066112093	563159015	/nfs/dbraw/zinc/15/90/15/563159015.db2.gz	BNJTUVZJFRQVRU-GOSISDBHSA-N	-1	0	429.448	3.044	1	0		IGAFRM
CC[C@H](CC(=O)[O-])n1c(=O)c2ncccc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170057	563195516	/nfs/dbraw/zinc/19/55/16/563195516.db2.gz	VKQSKVFPXNALOD-CQSZACIVSA-N	-1	0	438.509	3.259	1	0		IGAFRM
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])C(=O)OC2	ZINC000096937309	563199571	/nfs/dbraw/zinc/19/95/71/563199571.db2.gz	LSJYQLWMSSUPMX-SDTVSMOJSA-N	-1	0	433.501	3.264	1	0		IGAFRM
C[C@@H]1Cn2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCN(c5ccccn5)CC4)c(c32)S1	ZINC000003801947	132268067	/nfs/dbraw/zinc/26/80/67/132268067.db2.gz	FBQXENVDKYZVBX-CYBMUJFWSA-N	-1	0	440.500	3.055	1	0		IGAFRM
CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-]	ZINC000008680481	562961547	/nfs/dbraw/zinc/96/15/47/562961547.db2.gz	ZBUMYJNFQVAPRU-UHFFFAOYSA-N	-1	0	430.526	3.273	3	0		IGAFRM
O=C([O-])Cc1ccccc1OCC[C@@H]1Oc2ccccc2N(CCCCCCO)C1=O	ZINC000012358411	562981726	/nfs/dbraw/zinc/98/17/26/562981726.db2.gz	NHWYNBPDGCEJRZ-QFIPXVFZSA-N	-1	0	427.497	3.430	1	0		IGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1cccc(Br)c1	ZINC000013807289	563008533	/nfs/dbraw/zinc/00/85/33/563008533.db2.gz	DYWCQKFPKGFRJQ-GOEBONIOSA-N	-1	0	435.322	3.247	1	0		IGAFRM
COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]31)O2	ZINC000013884198	563013795	/nfs/dbraw/zinc/01/37/95/563013795.db2.gz	VKZZNADKILHZFB-UOUBUWQZSA-N	-1	0	444.524	3.340	1	0		IGAFRM
O=C([O-])C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1	ZINC000027519641	563042675	/nfs/dbraw/zinc/04/26/75/563042675.db2.gz	XTRJAENNSAJIAU-QHCPKHFHSA-N	-1	0	449.528	3.307	1	0		IGAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc(-c2ccc(N3CCCC3)cc2)cc1)[P@@](=O)([O-])O	ZINC000028643124	563060603	/nfs/dbraw/zinc/06/06/03/563060603.db2.gz	HTKNWYDCBWYORK-HXUWFJFHSA-N	-1	0	438.486	3.392	1	0		IGAFRM
O=C([O-])C[C@H](NC(=O)c1c(Cl)cccc1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825310	563066208	/nfs/dbraw/zinc/06/62/08/563066208.db2.gz	TWCOBQBGPHPXOP-HNNXBMFYSA-N	-1	0	436.823	3.200	1	0		IGAFRM
CCOC(=O)[C@@H](Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1)[N-]C(=O)C(F)(F)F	ZINC000031905560	563083853	/nfs/dbraw/zinc/08/38/53/563083853.db2.gz	QQLGGJVWQHSYBP-QGZVFWFLSA-N	-1	0	439.386	3.067	1	0		IGAFRM
COc1ccc([C@H](CC(=O)[O-])Cc2cc(OCCc3ccc4c(n3)NCCC4)no2)cn1	ZINC000036269250	563092388	/nfs/dbraw/zinc/09/23/88/563092388.db2.gz	QHSKOAKVMQHGPS-KRWDZBQOSA-N	-1	0	438.484	3.254	1	0		IGAFRM
O=C([O-])c1ccccc1C(=O)N1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1	ZINC000036330683	563092826	/nfs/dbraw/zinc/09/28/26/563092826.db2.gz	LTBCFIMWJZFHPT-UHFFFAOYSA-N	-1	0	425.529	3.257	1	0		IGAFRM
NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCc2cccs2)cc1Oc1ccccc1	ZINC000039378682	563099171	/nfs/dbraw/zinc/09/91/71/563099171.db2.gz	DYJNTYXMBIWJND-UHFFFAOYSA-N	-1	0	440.524	3.047	1	0		IGAFRM
CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3C(=O)C[C@]12C	ZINC000040496606	563104163	/nfs/dbraw/zinc/10/41/63/563104163.db2.gz	UHWOAYITUVVFCV-XJKOPQQTSA-N	-1	0	434.529	3.226	1	0		IGAFRM
COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3OCC(=O)[O-])oc2c1OC	ZINC000045231169	563126203	/nfs/dbraw/zinc/12/62/03/563126203.db2.gz	RYQBXXYMTJWYMG-UHFFFAOYSA-N	-1	0	436.800	3.308	1	0		IGAFRM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1	ZINC000045255831	563127352	/nfs/dbraw/zinc/12/73/52/563127352.db2.gz	MAVLEFCJGJGCMS-UHFFFAOYSA-N	-1	0	432.505	3.498	1	0		IGAFRM
CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)[N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000061896382	563147357	/nfs/dbraw/zinc/14/73/57/563147357.db2.gz	LWSSUVZTEQVFAF-QHCPKHFHSA-N	-1	0	446.544	3.162	3	0		IGAFRM
CC(C)(C(=O)N1CC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1	ZINC000061904091	563148087	/nfs/dbraw/zinc/14/80/87/563148087.db2.gz	YZPQACLEOSFMAV-NRFANRHFSA-N	-1	0	434.945	3.114	3	0		IGAFRM
CCC[C@@H]1C[C@H](C(=O)[O-])CCN1c1nc(-c2cc(OC)c(OC)c(OC)c2)cnc1N	ZINC000064447614	563153242	/nfs/dbraw/zinc/15/32/42/563153242.db2.gz	IHLINQCDPJHLCN-UKRRQHHQSA-N	-1	0	430.505	3.221	1	0		IGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccccc4F)CC3)c(F)c21	ZINC000066259067	563160446	/nfs/dbraw/zinc/16/04/46/563160446.db2.gz	NJWAKSFOQXKAGV-UHFFFAOYSA-N	-1	0	431.414	3.464	1	0		IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-]	ZINC000253701720	581096064	/nfs/dbraw/zinc/09/60/64/581096064.db2.gz	YEXQQQZDCCDPJD-VLQCVTHLSA-N	-1	0	431.529	3.200	1	0		IGAFRM
CC(C)Oc1ccc2nc(COc3ccc(C[C@H]4SC(=O)[N-]C4=O)cc3)n(C)c2n1	ZINC000001485036	562922161	/nfs/dbraw/zinc/92/21/61/562922161.db2.gz	NYZCYOCLLSTCPQ-MRXNPFEDSA-N	-1	0	426.498	3.229	1	0		IGAFRM
COC(=O)c1[n-]c2ccc(Cl)cc2c1S(=O)(=O)c1cc(OC)c(OC)c(OC)c1	ZINC000013585522	562995179	/nfs/dbraw/zinc/99/51/79/562995179.db2.gz	JMHCNNYXXAKSNM-UHFFFAOYSA-N	-1	0	439.873	3.467	1	0		IGAFRM
CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)C1=O	ZINC000013732960	563002054	/nfs/dbraw/zinc/00/20/54/563002054.db2.gz	NURGVFFFAXQWAP-QHCPKHFHSA-N	-1	0	442.475	3.275	1	0		IGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccc(Br)cc1	ZINC000013807299	563008597	/nfs/dbraw/zinc/00/85/97/563008597.db2.gz	ZMELRSSTECEKFZ-GOEBONIOSA-N	-1	0	435.322	3.247	1	0		IGAFRM
CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCCCCCCCCCNC1=O)P(=O)([O-])[O-]	ZINC000013890300	563013874	/nfs/dbraw/zinc/01/38/74/563013874.db2.gz	JANOCMLVAXHACE-GBESFXJTSA-N	-1	0	447.557	3.030	1	0		IGAFRM
Cn1c(COc2ccc(C[C@@H]3SC(=O)[N-]C3=O)cc2)nc2cc(C(F)(F)F)cnc21	ZINC000026824908	563037003	/nfs/dbraw/zinc/03/70/03/563037003.db2.gz	SZSHNOMOOAGRAI-AWEZNQCLSA-N	-1	0	436.415	3.460	1	0		IGAFRM
CN(C(=O)OC(C)(C)C)C1=C([O-])[C@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O	ZINC000026841454	563037527	/nfs/dbraw/zinc/03/75/27/563037527.db2.gz	DSWAYLHGYRWPGK-HSZRJFAPSA-N	-1	0	432.517	3.466	1	0		IGAFRM
O=C([O-])COc1c(Br)c(Br)sc1C(=O)Nc1nccs1	ZINC000028886952	563068150	/nfs/dbraw/zinc/06/81/50/563068150.db2.gz	CZVCTKKYRCTJRK-UHFFFAOYSA-N	-1	0	442.110	3.445	1	0		IGAFRM
C[C@@H]1COc2c(N3CCN(C)[C@@H](c4ccccc4)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000029127251	563074823	/nfs/dbraw/zinc/07/48/23/563074823.db2.gz	PSHGURONELHXJB-AUUYWEPGSA-N	-1	0	437.471	3.285	1	0		IGAFRM
COc1ccc(-c2cnc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)cc3)o2)cc1	ZINC000034801792	563087530	/nfs/dbraw/zinc/08/75/30/563087530.db2.gz	QGOLLUPJBACRFO-LJQANCHMSA-N	-1	0	430.482	3.405	1	0		IGAFRM
CC(C)(C(=O)N1CC[C@@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1	ZINC000061895453	563147065	/nfs/dbraw/zinc/14/70/65/563147065.db2.gz	GCDBWYGLLGXESB-NRFANRHFSA-N	-1	0	434.945	3.114	3	0		IGAFRM
CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1	ZINC000061926060	563149814	/nfs/dbraw/zinc/14/98/14/563149814.db2.gz	XWQMVTBSJDWCHF-INIZCTEOSA-N	-1	0	438.493	3.007	3	0		IGAFRM
CCc1ccc(S(=O)(=O)N(C)[C@@H]2CCc3c(CC(=O)[O-])c4ccccc4n3C2)cc1	ZINC000066259532	563160601	/nfs/dbraw/zinc/16/06/01/563160601.db2.gz	FYKLNMNGLAUVLV-QGZVFWFLSA-N	-1	0	426.538	3.466	1	0		IGAFRM
O=C1c2ccccc2CN1[C@H]1CCC(=O)N(CSC(=S)[N-]C2CCCCC2)C1=O	ZINC000072175685	563165509	/nfs/dbraw/zinc/16/55/09/563165509.db2.gz	POXXVGMGQXWICZ-KRWDZBQOSA-N	-1	0	431.583	3.058	1	0		IGAFRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)NCCc1ccccc1	ZINC000095872284	563194741	/nfs/dbraw/zinc/19/47/41/563194741.db2.gz	DXBXAKFDMQPVBU-ZRBLBEILSA-N	-1	0	434.536	3.362	1	0		IGAFRM
CCC[C@@H](C(=O)[O-])n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170049	563195524	/nfs/dbraw/zinc/19/55/24/563195524.db2.gz	ZBIUWIWTJRDATO-KRWDZBQOSA-N	-1	0	438.509	3.259	1	0		IGAFRM
CCOC(=O)[C@@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000028756966	581095999	/nfs/dbraw/zinc/09/59/99/581095999.db2.gz	YEXQQQZDCCDPJD-GHRYLNIYSA-N	-1	0	431.529	3.200	1	0		IGAFRM
C[C@H](O)CCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358417	562981693	/nfs/dbraw/zinc/98/16/93/562981693.db2.gz	BDLDSSMAHRDDGB-JTSKRJEESA-N	-1	0	427.497	3.428	1	0		IGAFRM
COc1cc(OC)nc(O[C@H](C(=O)[O-])C(OC)(c2cccc(F)c2)c2cccc(F)c2)n1	ZINC000013756036	563004377	/nfs/dbraw/zinc/00/43/77/563004377.db2.gz	WAZSLZZZKKHKKE-LJQANCHMSA-N	-1	0	446.406	3.194	1	0		IGAFRM
COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)[O-])c2CO)c1	ZINC000014954269	563015792	/nfs/dbraw/zinc/01/57/92/563015792.db2.gz	DQSRCEFDWMQCCV-GQCTYLIASA-N	-1	0	425.393	3.117	1	0	in-vivo	IGAFRM
CCCCc1c(=O)n(-c2ccc(OC(C)=O)c(C(=O)[O-])c2)c2ncccc2c1OC(C)=O	ZINC000026189883	563029962	/nfs/dbraw/zinc/02/99/62/563029962.db2.gz	BVRJTHYSGHBUEB-UHFFFAOYSA-N	-1	0	438.436	3.277	1	0		IGAFRM
CC(C)[C@@H](C(=O)[O-])N(C(=O)CC[C@@H](C)O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000026384568	563031565	/nfs/dbraw/zinc/03/15/65/563031565.db2.gz	WIQNTCSSBLTCDW-VFNWGFHPSA-N	-1	0	437.500	3.137	1	0		IGAFRM
Cn1c(COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc2cc(Br)cnc21	ZINC000026819663	563036780	/nfs/dbraw/zinc/03/67/80/563036780.db2.gz	WJZRMYZKBUVZEH-CQSZACIVSA-N	-1	0	447.314	3.204	1	0		IGAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc3c(c2)OCO3)[C@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027207101	563040868	/nfs/dbraw/zinc/04/08/68/563040868.db2.gz	NIXWODLMZOUNNT-NRFANRHFSA-N	-1	0	440.452	3.377	1	0		IGAFRM
CC(C)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)NN2CCC3(CCCC3)CC2)cc1	ZINC000027213773	563041035	/nfs/dbraw/zinc/04/10/35/563041035.db2.gz	QILDUUBHILTMNL-FQEVSTJZSA-N	-1	0	429.561	3.461	1	0		IGAFRM
O=C([O-])[C@@H]1CCCN1C(=O)C[C@@H](SC(=O)c1ccccc1)C(=O)c1ccc(F)cc1	ZINC000027309684	563041263	/nfs/dbraw/zinc/04/12/63/563041263.db2.gz	NXIPMBCZAZWEQB-ZWKOTPCHSA-N	-1	0	429.469	3.416	1	0		IGAFRM
O=C([O-])[C@@H]1CCCN1C(=O)C[C@@H](SC(=O)c1ccccc1)C(=O)c1cccc(F)c1	ZINC000027311296	563041390	/nfs/dbraw/zinc/04/13/90/563041390.db2.gz	WLGHXEUSLXKRDG-ZWKOTPCHSA-N	-1	0	429.469	3.416	1	0		IGAFRM
O=S(=O)([N-]c1ccc2[nH]cc(CCN3CCOCC3)c2c1)c1ccc2ccccc2n1	ZINC000028111992	563050828	/nfs/dbraw/zinc/05/08/28/563050828.db2.gz	PQKFQFVOESWCRV-UHFFFAOYSA-N	-1	0	436.537	3.392	1	0		IGAFRM
Cn1nccc(-c2ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)[O-])cc2)c1=O	ZINC000029127819	563074998	/nfs/dbraw/zinc/07/49/98/563074998.db2.gz	FPRXGNGLIQZNBP-KRWDZBQOSA-N	-1	0	446.290	3.180	1	0		IGAFRM
Cc1nc2c(n1Cc1ccc(-n3cccc3-c3nn[nH]n3)cc1)C(=CC(=O)[O-])CCCC2	ZINC000029390941	563078973	/nfs/dbraw/zinc/07/89/73/563078973.db2.gz	VVFWPAJOSJSVCX-GHRIWEEISA-N	-1	0	429.484	3.405	1	0		IGAFRM
NC(=O)N1C(=O)/C(=C(/OC(=O)/C=C/C(=O)[O-])c2cccs2)c2cc(F)c(Cl)cc21	ZINC000029483117	563081205	/nfs/dbraw/zinc/08/12/05/563081205.db2.gz	QHYCRGFECKCNHP-KCSRKXIPSA-N	-1	0	436.804	3.018	1	0		IGAFRM
CCCCOc1ccc(-c2ccc(CC[C@@]([NH3+])(CO)COP(=O)([O-])[O-])cc2)cc1F	ZINC000035998137	563090693	/nfs/dbraw/zinc/09/06/93/563090693.db2.gz	ULMHODUJXJVNJF-OAQYLSRUSA-N	-1	0	441.436	3.403	1	0		IGAFRM
CC(C)CCn1c2ccsc2c([O-])c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1=O	ZINC000038412642	563097661	/nfs/dbraw/zinc/09/76/61/563097661.db2.gz	GHZSVFYHAVWWNO-UHFFFAOYSA-N	-1	0	433.511	3.081	1	0		IGAFRM
O=C([O-])C(O)=CC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc2c1=O	ZINC000043063010	563117741	/nfs/dbraw/zinc/11/77/41/563117741.db2.gz	SWTCOVTZHCWWLN-UHFFFAOYSA-N	-1	0	446.228	3.178	1	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)Cc1ccccc1Cl	ZINC000061905137	563148307	/nfs/dbraw/zinc/14/83/07/563148307.db2.gz	MJMDZJFUETUSRU-KRWDZBQOSA-N	-1	0	447.365	3.094	3	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(Cl)cc1Cl	ZINC000061904764	563148245	/nfs/dbraw/zinc/14/82/45/563148245.db2.gz	KTIIWOHCYVJTTH-LJQANCHMSA-N	-1	0	441.336	3.032	3	0		IGAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)c2cccc3ccccc32)c1	ZINC000061907507	563148791	/nfs/dbraw/zinc/14/87/91/563148791.db2.gz	ZIXXEORAXLMUAF-QHCPKHFHSA-N	-1	0	440.496	3.397	3	0		IGAFRM
Cc1nc(-c2ccc3oc4cc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)ccc4c3c2)no1	ZINC000073240663	563171339	/nfs/dbraw/zinc/17/13/39/563171339.db2.gz	AJPXKPDDERRJRR-SFHVURJKSA-N	-1	0	429.454	3.332	1	0		IGAFRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)NCCc1ccccc1	ZINC000095872282	563194734	/nfs/dbraw/zinc/19/47/34/563194734.db2.gz	DXBXAKFDMQPVBU-VABKMULXSA-N	-1	0	434.536	3.362	1	0		IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000169367602	581096009	/nfs/dbraw/zinc/09/60/09/581096009.db2.gz	YEXQQQZDCCDPJD-BWUHRYBWSA-N	-1	0	431.529	3.200	1	0		IGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)c4ccccc4)CC3)c(F)cc2c1=O	ZINC000013179378	132346187	/nfs/dbraw/zinc/34/61/87/132346187.db2.gz	VBTGIFFJNOGQQY-UHFFFAOYSA-N	-1	0	435.455	3.136	1	0		IGAFRM
O=C([O-])[C@H](Cc1ccc(I)cc1)NC(=O)c1ccc(Cl)cc1	ZINC000001582394	562923099	/nfs/dbraw/zinc/92/30/99/562923099.db2.gz	ZXOATKGVRNNONJ-AWEZNQCLSA-N	-1	0	429.641	3.370	1	0		IGAFRM
C[C@H](CO)Nc1cc([N-]S(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1	ZINC000003819838	562938761	/nfs/dbraw/zinc/93/87/61/562938761.db2.gz	RQVBICARYCQZPB-OAHLLOKOSA-N	-1	0	430.555	3.362	1	0		IGAFRM
CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1=O	ZINC000013732953	563002013	/nfs/dbraw/zinc/00/20/13/563002013.db2.gz	BQXGDXMVEHGGNW-OAQYLSRUSA-N	-1	0	428.448	3.346	1	0		IGAFRM
COCc1cccc(C[C@H](O)/C=C/[C@H]2CCCC(=O)N2CCSCCCC(=O)[O-])c1	ZINC000028474489	563055647	/nfs/dbraw/zinc/05/56/47/563055647.db2.gz	KUQBIVNMUSAYOR-VRDGUJSXSA-N	-1	0	435.586	3.272	1	0		IGAFRM
O=S(=O)([N-]N1C(=S)S[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H]1O)c1ccccc1	ZINC000028569046	563058649	/nfs/dbraw/zinc/05/86/49/563058649.db2.gz	SLTXEPXZNKTMAJ-HUUCEWRRSA-N	-1	0	449.406	3.450	1	0		IGAFRM
COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)[O-])ccc1OCCCn1ccc2cccnc21	ZINC000028706697	563062102	/nfs/dbraw/zinc/06/21/02/563062102.db2.gz	GUMLEPLBDXGUCF-HXUWFJFHSA-N	-1	0	436.468	3.227	1	0		IGAFRM
C[C@H]1COc2c(N3CCN(C)[C@@H](c4ccccc4)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000029127252	563074840	/nfs/dbraw/zinc/07/48/40/563074840.db2.gz	PSHGURONELHXJB-IFXJQAMLSA-N	-1	0	437.471	3.285	1	0		IGAFRM
CC(C)CCn1nc(-c2cccs2)c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c1[O-]	ZINC000029128630	563075230	/nfs/dbraw/zinc/07/52/30/563075230.db2.gz	SVLHDHVYVKADRI-UHFFFAOYSA-N	-1	0	444.538	3.285	1	0		IGAFRM
CC(C)c1ccc2c(CNC(=O)CNS(=O)(=O)c3ccccc3)cc(C(=O)[O-])c-2cc1	ZINC000029405330	563079504	/nfs/dbraw/zinc/07/95/04/563079504.db2.gz	KYCGILYIUBZEPU-UHFFFAOYSA-N	-1	0	440.521	3.208	1	0		IGAFRM
CSCC[C@H](NC(=O)CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)[O-]	ZINC000040810811	563106879	/nfs/dbraw/zinc/10/68/79/563106879.db2.gz	FWSKJHPLDKFCTM-XDHFQJGLSA-N	-1	0	439.622	3.137	1	0		IGAFRM
CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000061905396	563148315	/nfs/dbraw/zinc/14/83/15/563148315.db2.gz	NNLFNVHBZFGUPQ-HSZRJFAPSA-N	-1	0	428.554	3.023	3	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061927976	563150291	/nfs/dbraw/zinc/15/02/91/563150291.db2.gz	WNKVKVLKSPRXJR-OAQYLSRUSA-N	-1	0	446.956	3.009	3	0		IGAFRM
CC(C)(C(=O)N1CC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1	ZINC000061928783	563150425	/nfs/dbraw/zinc/15/04/25/563150425.db2.gz	INVUWUIHKDENFY-LJQANCHMSA-N	-1	0	440.974	3.175	3	0		IGAFRM
Cc1ccc(S(=O)(=O)n2c3ccccc3nc2-c2ccc(S(=O)(=O)[O-])cc2)cc1	ZINC000066259514	563160503	/nfs/dbraw/zinc/16/05/03/563160503.db2.gz	CWRVWOKPPBYYSG-UHFFFAOYSA-N	-1	0	428.491	3.495	1	0		IGAFRM
NS(=O)(=O)c1ccc(N2N=C(c3nc(=S)o[n-]3)C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000073361036	563172686	/nfs/dbraw/zinc/17/26/86/563172686.db2.gz	BYCUEPLIMMIXJS-OAHLLOKOSA-N	-1	0	435.918	3.015	1	0		IGAFRM
CCC[C@H](C)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000095580004	563187149	/nfs/dbraw/zinc/18/71/49/563187149.db2.gz	PALCPFLMTHCBEP-AWEZNQCLSA-N	-1	0	429.492	3.259	1	0		IGAFRM
O=C([O-])c1ccc(C(=O)Nc2cccnc2C(=O)NCC2CCOCC2)c2ccccc12	ZINC000095593830	563190756	/nfs/dbraw/zinc/19/07/56/563190756.db2.gz	BIICSDGTLAHWES-UHFFFAOYSA-N	-1	0	433.464	3.342	1	0		IGAFRM
COc1cc(Cc2cc3c(c(C(=O)[O-])c2Br)OCO3)cc(OC)c1OC	ZINC000001650713	562923843	/nfs/dbraw/zinc/92/38/43/562923843.db2.gz	BOTBWCNYYXLNGM-UHFFFAOYSA-N	-1	0	425.231	3.493	1	0		IGAFRM
C/C=C\[C@H](CC(=O)[O-])CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21	ZINC000005923627	562945373	/nfs/dbraw/zinc/94/53/73/562945373.db2.gz	YPSYYNPWNICDRZ-AGOVTNRESA-N	-1	0	448.463	3.003	1	0		IGAFRM
Cc1c2cc(F)ccc2sc1S(=O)(=O)[N-]c1ccc(CO)cc1S(C)(=O)=O	ZINC000013587578	562995714	/nfs/dbraw/zinc/99/57/14/562995714.db2.gz	FSBUSUKVSNLYOP-UHFFFAOYSA-N	-1	0	429.516	3.045	1	0		IGAFRM
COC(=O)c1cc(CNC(=O)NCc2ccc(C(C)(C)C)cc2)ccc1[N-]S(C)(=O)=O	ZINC000013672932	563000077	/nfs/dbraw/zinc/00/00/77/563000077.db2.gz	KTTFQKGSROOKOP-UHFFFAOYSA-N	-1	0	447.557	3.142	1	0		IGAFRM
O=C([O-])CC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1	ZINC000027211485	563041051	/nfs/dbraw/zinc/04/10/51/563041051.db2.gz	FDOWAHFNCKHPNF-NRFANRHFSA-N	-1	0	437.540	3.490	1	0		IGAFRM
O=C([O-])[C@H]1CCCN1C(=O)C[C@H](SC(=O)c1ccccc1)C(=O)c1cccc(F)c1	ZINC000027311313	563041367	/nfs/dbraw/zinc/04/13/67/563041367.db2.gz	WLGHXEUSLXKRDG-MSOLQXFVSA-N	-1	0	429.469	3.416	1	0		IGAFRM
Cc1cc2nc(-c3ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)[O-])cc3)[nH]c2cc1C	ZINC000028712797	563062950	/nfs/dbraw/zinc/06/29/50/563062950.db2.gz	HBBFHTYIYFLYDL-FQEVSTJZSA-N	-1	0	436.512	3.192	1	0		IGAFRM
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)/C=C\C(=O)[O-])cc1	ZINC000028760881	563063701	/nfs/dbraw/zinc/06/37/01/563063701.db2.gz	MKNDXTUHRMGFQK-KHPPLWFESA-N	-1	0	433.892	3.222	1	0		IGAFRM
COc1ccc(-c2cnc(-c3ccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)cc3)o2)cc1	ZINC000034801791	563087521	/nfs/dbraw/zinc/08/75/21/563087521.db2.gz	QGOLLUPJBACRFO-IBGZPJMESA-N	-1	0	430.482	3.405	1	0		IGAFRM
CCCCc1ncc(C=C2C(=O)[N-]C(=O)N2CCCC)n1Cc1ccc(-c2nn[nH]n2)cc1	ZINC000036222410	563092226	/nfs/dbraw/zinc/09/22/26/563092226.db2.gz	SUPLNYPFGSYKOO-UYRXBGFRSA-N	-1	0	448.531	3.147	1	0		IGAFRM
CCCCc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)c2cccc(F)c2)cc1	ZINC000061902760	563147842	/nfs/dbraw/zinc/14/78/42/563147842.db2.gz	MEJCMZXOUOZEFE-JOCHJYFZSA-N	-1	0	432.517	3.278	3	0		IGAFRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCN1C(=O)Cc1ccc(C(C)(C)C)cc1	ZINC000061929533	563150480	/nfs/dbraw/zinc/15/04/80/563150480.db2.gz	LNJDIUCFAAEHMF-DEOSSOPVSA-N	-1	0	442.581	3.331	3	0		IGAFRM
O=c1c2[n-][nH]n(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)c=2c(=O)n1-c1ccccc1	ZINC000073224852	563171023	/nfs/dbraw/zinc/17/10/23/563171023.db2.gz	NWEOJCCVZRRHHT-JKSUJKDBSA-N	-1	0	442.357	3.249	1	0		IGAFRM
CCNC(=O)c1noc(-c2cc(Cl)c([O-])cc2O)c1NC(=O)c1ccc(OC)cc1	ZINC000073225043	563171130	/nfs/dbraw/zinc/17/11/30/563171130.db2.gz	QBSZQEVMVGSPFZ-UHFFFAOYSA-N	-1	0	431.832	3.417	1	0		IGAFRM
CS(=O)(=O)Nc1ccc(CCNC(=O)c2ccc([O-])c3nc(C4CCCC4)[nH]c32)cc1	ZINC000073296733	563172156	/nfs/dbraw/zinc/17/21/56/563172156.db2.gz	OSGOEXDFPUYQTQ-UHFFFAOYSA-N	-1	0	442.541	3.270	1	0		IGAFRM
CC(C)(C)OC(=O)N1CCCn2c(=O)cc3[n-]n(-c4ccccc4Cl)c(=O)c3c2C1	ZINC000082153973	563173480	/nfs/dbraw/zinc/17/34/80/563173480.db2.gz	QAGPTTNFAWOFFR-UHFFFAOYSA-N	-1	0	430.892	3.275	1	0		IGAFRM
CC(C)Oc1cc(CCC(=O)[N-]S(C)(=O)=O)n(Cc2ccc(Cl)cc2Cl)n1	ZINC000082158299	563173995	/nfs/dbraw/zinc/17/39/95/563173995.db2.gz	MQLDILMWGJRVTQ-UHFFFAOYSA-N	-1	0	434.345	3.034	1	0		IGAFRM
O=C(NCc1ccc(F)cc1)c1c(=O)c(=O)n(-c2ccc(F)cc2)[n-]c1C(F)(F)F	ZINC000084710082	563177214	/nfs/dbraw/zinc/17/72/14/563177214.db2.gz	WMQNWHSKKFLXLP-UHFFFAOYSA-N	-1	0	425.313	3.165	1	0		IGAFRM
CCCC[C@H](Cn1c(=O)c2cnccc2n(Cc2cn(C)c3cccc(C)c23)c1=O)C(=O)[O-]	ZINC000096170041	563195539	/nfs/dbraw/zinc/19/55/39/563195539.db2.gz	SWXBRSFBXDLOHD-QGZVFWFLSA-N	-1	0	448.523	3.298	1	0		IGAFRM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1	ZINC000000627435	132227883	/nfs/dbraw/zinc/22/78/83/132227883.db2.gz	FPTQRJBKCMEAEU-WOJBJXKFSA-N	-1	0	433.508	3.255	3	0		IGAFRM
COc1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)cc1OC	ZINC000004001682	562940620	/nfs/dbraw/zinc/94/06/20/562940620.db2.gz	XFTSPUZQZXTBIG-UHFFFAOYSA-N	-1	0	431.470	3.362	3	0		IGAFRM
CCO[C@H](Cc1ccc(OCCN2c3sccc3OCC2=O)c(Cl)c1)C(=O)[O-]	ZINC000012358231	562981665	/nfs/dbraw/zinc/98/16/65/562981665.db2.gz	IQHOWBZNTURRPJ-MRXNPFEDSA-N	-1	0	425.890	3.238	1	0		IGAFRM
COc1ccc(OCCCCCC(=O)[O-])cc1Cc1cnc2nc(N)nc(N)c2c1C	ZINC000013646368	562998767	/nfs/dbraw/zinc/99/87/67/562998767.db2.gz	MMMXXNOXIQPQHJ-UHFFFAOYSA-N	-1	0	425.489	3.121	1	0	in-vitro	IGAFRM
CC(C)C[C@H](C[P@](=O)([O-])[C@@H]([NH3+])c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013807155	563008506	/nfs/dbraw/zinc/00/85/06/563008506.db2.gz	YLKFDKFPSCCFCF-QHAWAJNXSA-N	-1	0	446.484	3.389	1	0		IGAFRM
Cn1c(COc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc2cc(C(F)(F)F)cnc21	ZINC000026824913	563037073	/nfs/dbraw/zinc/03/70/73/563037073.db2.gz	SZSHNOMOOAGRAI-CQSZACIVSA-N	-1	0	436.415	3.460	1	0		IGAFRM
O=C([O-])C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2oc3ccccc3c2c1	ZINC000027518843	563042603	/nfs/dbraw/zinc/04/26/03/563042603.db2.gz	PVTAZXXDKDMCRE-LJQANCHMSA-N	-1	0	435.457	3.355	1	0		IGAFRM
CS(=O)(=O)N1CCc2ccc3c(nc(Cc4ccc(Cl)cc4)c(O)c3C(=O)[O-])c2C1	ZINC000035087129	563089339	/nfs/dbraw/zinc/08/93/39/563089339.db2.gz	KPSXVKHUBIADNQ-UHFFFAOYSA-N	-1	0	446.912	3.201	1	0		IGAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2ccccc2Cl)cc1OC	ZINC000040918453	563111847	/nfs/dbraw/zinc/11/18/47/563111847.db2.gz	UGRLXBNVYASYNP-YRYLYKBFSA-N	-1	0	446.887	3.359	1	0		IGAFRM
CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1	ZINC000061895337	563147086	/nfs/dbraw/zinc/14/70/86/563147086.db2.gz	IJNMKDDCIZOGGU-HXUWFJFHSA-N	-1	0	438.571	3.415	3	0		IGAFRM
CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)[N-]S(=O)(=O)c2cccs2)cc1	ZINC000061896086	563147330	/nfs/dbraw/zinc/14/73/30/563147330.db2.gz	DEFWIPCMPIXCTO-OAQYLSRUSA-N	-1	0	434.583	3.084	3	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(Cl)cc1Cl	ZINC000061904765	563148225	/nfs/dbraw/zinc/14/82/25/563148225.db2.gz	KTIIWOHCYVJTTH-IBGZPJMESA-N	-1	0	441.336	3.032	3	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C/C=C/c1ccccc1	ZINC000061907514	563148813	/nfs/dbraw/zinc/14/88/13/563148813.db2.gz	XCRSFSYYOYPNON-AEVNEEFTSA-N	-1	0	432.929	3.239	3	0		IGAFRM
CCN([C@@H]1CCc2c(CC(=O)[O-])c3ccccc3n2C1)S(=O)(=O)c1ccc(F)cc1	ZINC000066104027	563158637	/nfs/dbraw/zinc/15/86/37/563158637.db2.gz	NIZANMQTGOOGPX-MRXNPFEDSA-N	-1	0	430.501	3.433	1	0		IGAFRM
O=C(NCc1ccc(F)cc1)c1c(=O)c(=O)n(Cc2cccs2)[n-]c1C(F)(F)F	ZINC000084729495	563178426	/nfs/dbraw/zinc/17/84/26/563178426.db2.gz	ANYMRQFPGKPEEC-UHFFFAOYSA-N	-1	0	427.379	3.147	1	0		IGAFRM
O=C([O-])c1cn(C2CC2)c2cc(-n3cc(CNCc4ccccc4)nn3)c(F)cc2c1=O	ZINC000098081950	563200446	/nfs/dbraw/zinc/20/04/46/563200446.db2.gz	IPWYVPPLXIWGMX-UHFFFAOYSA-N	-1	0	433.443	3.044	1	0		IGAFRM
COc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(=O)[O-])c2)cc1	ZINC000000786439	562919151	/nfs/dbraw/zinc/91/91/51/562919151.db2.gz	NNOAIIDBGATZSX-UHFFFAOYSA-N	-1	0	426.450	3.447	3	0		IGAFRM
C[C@H](CCn1oc(=O)[n-]c1=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000013582108	562994672	/nfs/dbraw/zinc/99/46/72/562994672.db2.gz	GYIFKHHUMQDLGP-YVUDBTGTSA-N	-1	0	448.604	3.146	1	0		IGAFRM
CCc1nc(C(C)(C)O)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013745671	563003870	/nfs/dbraw/zinc/00/38/70/563003870.db2.gz	BUGMWTSCCDYOHC-UHFFFAOYSA-N	-1	0	432.484	3.267	1	0		IGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccccc1Br	ZINC000013807275	563008495	/nfs/dbraw/zinc/00/84/95/563008495.db2.gz	WFXQCDCLSNIHRG-GDBMZVCRSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])C1=C(Cl)CS[C@@H]2[C@H](NC(=O)Cc3csc4ccc(Cl)cc34)C(=O)N12	ZINC000026148438	563028907	/nfs/dbraw/zinc/02/89/07/563028907.db2.gz	FEQKRBLXRRETJW-CZUORRHYSA-N	-1	0	443.333	3.032	1	0		IGAFRM
O=c1cc(-c2ccc3c(c2)O[C@H](c2ccc(O)cc2)[C@@H](CO)O3)oc2cc([O-])cc(O)c12	ZINC000026638383	563034301	/nfs/dbraw/zinc/03/43/01/563034301.db2.gz	LGCYESMJMVCXLM-ISKFKSNPSA-N	-1	0	434.400	3.450	1	0		IGAFRM
O=C([O-])[C@H]1CCCN1C(=O)C[C@@H](SC(=O)c1ccccc1)C(=O)c1cccc(F)c1	ZINC000027311301	563041353	/nfs/dbraw/zinc/04/13/53/563041353.db2.gz	WLGHXEUSLXKRDG-QZTJIDSGSA-N	-1	0	429.469	3.416	1	0		IGAFRM
CC(=O)N[C@@H](Cc1ccc(OCCC(=O)Nc2ccccc2C(F)(F)F)cc1)C(=O)[O-]	ZINC000028708273	563062319	/nfs/dbraw/zinc/06/23/19/563062319.db2.gz	OTGIEODULOQIFZ-SFHVURJKSA-N	-1	0	438.402	3.245	1	0		IGAFRM
O=C([O-])CN1C(=O)[C@H](NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ccccc21	ZINC000028818242	563064918	/nfs/dbraw/zinc/06/49/18/563064918.db2.gz	VZFLYUUKLKQOKA-SNVBAGLBSA-N	-1	0	438.292	3.309	1	0		IGAFRM
O=[P@@]([O-])(O)CN[C@@H](Cc1ccc(-c2ccccc2)cc1)c1nnnn1Cc1ccccc1	ZINC000029318476	563077715	/nfs/dbraw/zinc/07/77/15/563077715.db2.gz	TZPVQFHJFOWMMZ-QFIPXVFZSA-N	-1	0	449.451	3.397	1	0		IGAFRM
CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)[O-]	ZINC000040411266	563101782	/nfs/dbraw/zinc/10/17/82/563101782.db2.gz	LFFXCAIUGVSUKR-RTWAWAEBSA-N	-1	0	444.572	3.259	1	0		IGAFRM
COC(=O)c1c(O)cccc1O[C@@H](CO)CCc1cc(-c2cc(C(=O)[O-])no2)ccc1F	ZINC000043075108	563118225	/nfs/dbraw/zinc/11/82/25/563118225.db2.gz	WTZBZHJNANDWQI-CQSZACIVSA-N	-1	0	445.399	3.044	1	0		IGAFRM
O=C([O-])[C@]1(NS(=O)(=O)c2ccc(-n3cc(Cl)cn3)s2)C[C@@H]1C1CCCCC1	ZINC000049112707	563138356	/nfs/dbraw/zinc/13/83/56/563138356.db2.gz	RFDQVDRDXJWAMK-DYVFJYSZSA-N	-1	0	429.951	3.289	1	0		IGAFRM
CCCS(=O)(=O)[N-]C(=O)[C@]1(C)CCN(C(=O)c2ccc(SC(F)(F)F)cc2)C1	ZINC000061926059	563149804	/nfs/dbraw/zinc/14/98/04/563149804.db2.gz	XWQMVTBSJDWCHF-MRXNPFEDSA-N	-1	0	438.493	3.007	3	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)C/C=C/c1ccccc1	ZINC000061930549	563150693	/nfs/dbraw/zinc/15/06/93/563150693.db2.gz	GCHCNZOVYNTQJG-FERLCFGISA-N	-1	0	432.929	3.239	3	0		IGAFRM
CN([C@@H]1CCc2c(CC(=O)[O-])c3cccc(F)c3n2C1)S(=O)(=O)c1ccc(F)cc1	ZINC000066111566	563158827	/nfs/dbraw/zinc/15/88/27/563158827.db2.gz	OTGREDPOEXITQK-CQSZACIVSA-N	-1	0	434.464	3.182	1	0		IGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(Cc4ccccc4)CC3)c(F)c21	ZINC000066251503	563159929	/nfs/dbraw/zinc/15/99/29/563159929.db2.gz	NEPQUSKAEYRYJK-UHFFFAOYSA-N	-1	0	427.451	3.320	1	0		IGAFRM
Cc1cc2c(c(Cn3c4cccnc4c(=O)n([C@@H](CC(=O)[O-])C4CC4)c3=O)cn2C)c(C)c1	ZINC000068244698	563161313	/nfs/dbraw/zinc/16/13/13/563161313.db2.gz	IRICZPDCTXBZBC-IBGZPJMESA-N	-1	0	446.507	3.141	1	0		IGAFRM
COc1ccccc1CNC(=O)c1c([O-])c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O	ZINC000073196281	563169934	/nfs/dbraw/zinc/16/99/34/563169934.db2.gz	MDDSNHNYPNDXND-UHFFFAOYSA-N	-1	0	433.439	3.297	1	0		IGAFRM
CCNC(=O)c1cc2c(ncc(-c3cncc(C(=O)[O-])c3)c2-n2ccc(C(F)(F)F)n2)[nH]1	ZINC000084672473	563175607	/nfs/dbraw/zinc/17/56/07/563175607.db2.gz	QEODWPGJXCSBCR-UHFFFAOYSA-N	-1	0	444.373	3.277	1	0	in-vitro	IGAFRM
CNc1nc2nc(-c3ccc(C(=O)[O-])cc3)n(CCOc3ccc(Cl)cc3)c2c(=O)[nH]1	ZINC000084738990	563178922	/nfs/dbraw/zinc/17/89/22/563178922.db2.gz	HFRKMLGFCHVWTG-UHFFFAOYSA-N	-1	0	439.859	3.259	1	0		IGAFRM
O=C([O-])c1ccccc1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872210	563194631	/nfs/dbraw/zinc/19/46/31/563194631.db2.gz	YNMSMNGDJVDVMD-JOCHJYFZSA-N	-1	0	440.455	3.421	1	0		IGAFRM
COc1cc2oc(C)cc(=O)c2c([O-])c1Cc1c(O)c(C)c(O)c2c1C[C@@H](C)OC2=O	ZINC000013385317	291357733	/nfs/dbraw/zinc/35/77/33/291357733.db2.gz	UHMOSKKGJKWQDG-SECBINFHSA-N	-1	0	426.421	3.227	1	0	biogenic,in-vitro	IGAFRM
O=C([O-])Cc1nn(Cc2nc3cc(C(F)(F)F)c(O)cc3s2)c(=O)c2ccccc12	ZINC000000596323	562918368	/nfs/dbraw/zinc/91/83/68/562918368.db2.gz	XPQLLXHISGLZKA-UHFFFAOYSA-N	-1	0	435.383	3.406	1	0		IGAFRM
O=C([O-])CCc1cc(CCNS(=O)(=O)c2ccccc2)cc(Oc2cccnc2)c1	ZINC000000605762	562918806	/nfs/dbraw/zinc/91/88/06/562918806.db2.gz	YGFCJXBEWFGZOY-UHFFFAOYSA-N	-1	0	426.494	3.412	1	0		IGAFRM
Cc1c(C(=O)C(N)=O)c2c(cccc2OCC(=O)[O-])n1Cc1c(Cl)cccc1Cl	ZINC000001543779	562922717	/nfs/dbraw/zinc/92/27/17/562922717.db2.gz	AXRTZAZDPVBRMQ-UHFFFAOYSA-N	-1	0	435.263	3.436	1	0		IGAFRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000004295300	562943040	/nfs/dbraw/zinc/94/30/40/562943040.db2.gz	LNENLABLFGGAFF-BHDDXSALSA-N	-1	0	446.503	3.300	3	0		IGAFRM
O=C([O-])Cc1nn(Cc2noc(-c3ccccc3C(F)(F)F)n2)c(=O)c2ccccc12	ZINC000013449050	562987093	/nfs/dbraw/zinc/98/70/93/562987093.db2.gz	ZOWZXIMUMZOCHJ-UHFFFAOYSA-N	-1	0	430.342	3.141	1	0		IGAFRM
Cc1cccc(NC(=O)N[C@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)[O-])C2=O)c1	ZINC000013732628	563002048	/nfs/dbraw/zinc/00/20/48/563002048.db2.gz	WMUAZVBWFKBBJD-HSZRJFAPSA-N	-1	0	442.475	3.411	1	0		IGAFRM
O=C([O-])C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1	ZINC000013797839	563007598	/nfs/dbraw/zinc/00/75/98/563007598.db2.gz	JNBNCWQZPZWAOV-OAQYLSRUSA-N	-1	0	439.464	3.262	1	0		IGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1cccc(Br)c1	ZINC000013807297	563008573	/nfs/dbraw/zinc/00/85/73/563008573.db2.gz	DYWCQKFPKGFRJQ-ZBFHGGJFSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Br)cc1	ZINC000013807301	563008585	/nfs/dbraw/zinc/00/85/85/563008585.db2.gz	ZMELRSSTECEKFZ-HOCLYGCPSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000027520779	563042773	/nfs/dbraw/zinc/04/27/73/563042773.db2.gz	PZNZBFBEAZCEQK-NRFANRHFSA-N	-1	0	437.473	3.248	1	0		IGAFRM
O=C([O-])CN1C(=O)[C@@H](NC(=O)c2cc3sc(Cl)c(Cl)c3[nH]2)Cc2ccccc21	ZINC000028818240	563064936	/nfs/dbraw/zinc/06/49/36/563064936.db2.gz	VZFLYUUKLKQOKA-JTQLQIEISA-N	-1	0	438.292	3.309	1	0		IGAFRM
Cc1cc(C)c(NC(=O)OCc2ccccc2)c(C(=O)N[C@@H](CC(=O)[O-])C(=O)CF)c1	ZINC000028825307	563066210	/nfs/dbraw/zinc/06/62/10/563066210.db2.gz	AIDRUUBHVQWYRZ-KRWDZBQOSA-N	-1	0	430.432	3.164	1	0		IGAFRM
O=C([O-])C[C@H](NC(=O)c1ccc(Cl)cc1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825315	563066251	/nfs/dbraw/zinc/06/62/51/563066251.db2.gz	LKYDZLNBQNYAIT-INIZCTEOSA-N	-1	0	436.823	3.200	1	0		IGAFRM
COc1ccccc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)[O-]	ZINC000034233640	563085894	/nfs/dbraw/zinc/08/58/94/563085894.db2.gz	ZOMDPFRLBCLEDW-IBGZPJMESA-N	-1	0	436.468	3.320	1	0		IGAFRM
CC(C)(C)OC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000039614018	563099197	/nfs/dbraw/zinc/09/91/97/563099197.db2.gz	GZEOJGRTNVRDAQ-UHFFFAOYSA-N	-1	0	431.464	3.231	1	0		IGAFRM
C[C@]([NH3+])(COP(=O)([O-])[O-])C(=O)Nc1ccc(OCCCCCc2ccccc2)cc1	ZINC000040913803	563111194	/nfs/dbraw/zinc/11/11/94/563111194.db2.gz	WDBMBYAFMOKUJU-NRFANRHFSA-N	-1	0	436.445	3.244	1	0		IGAFRM
COC(=O)c1c(O)cccc1O[C@H](CO)CCc1cc(-c2cc(C(=O)[O-])no2)ccc1F	ZINC000043075105	563118237	/nfs/dbraw/zinc/11/82/37/563118237.db2.gz	WTZBZHJNANDWQI-AWEZNQCLSA-N	-1	0	445.399	3.044	1	0		IGAFRM
O=C([O-])c1cn(C2CC2)c2cc(N3CCN(C(=O)Cc4ccccc4)CC3)c(F)cc2c1=O	ZINC000045285613	563128190	/nfs/dbraw/zinc/12/81/90/563128190.db2.gz	MCHWLYWNFPCBCG-UHFFFAOYSA-N	-1	0	449.482	3.065	1	0		IGAFRM
O=C([O-])c1ccc(Cn2nnc(-c3ccnc(C(=O)NCc4cccc(Cl)c4)c3)n2)cc1	ZINC000045339836	563131906	/nfs/dbraw/zinc/13/19/06/563131906.db2.gz	BUCULLAUHLJMCO-UHFFFAOYSA-N	-1	0	448.870	3.065	1	0		IGAFRM
Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000064527547	563154570	/nfs/dbraw/zinc/15/45/70/563154570.db2.gz	FTNDRAYELRWNAF-UHFFFAOYSA-N	-1	0	442.504	3.866	1	0		IGAFRM
COc1ccc(CNC(=O)c2c([O-])c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)cc1	ZINC000073141829	563169023	/nfs/dbraw/zinc/16/90/23/563169023.db2.gz	AGOKLAOVLHIZIN-UHFFFAOYSA-N	-1	0	433.439	3.297	1	0		IGAFRM
Cc1ccc(N2O[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@H]3[C@@H]2c2ccc(O)cc2)cc1	ZINC000084671885	563175338	/nfs/dbraw/zinc/17/53/38/563175338.db2.gz	VEEJKPSQNNEMBP-FDFHNCONSA-N	-1	0	444.443	3.450	1	0		IGAFRM
CC[C@H](CC(=O)[O-])n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170055	563195561	/nfs/dbraw/zinc/19/55/61/563195561.db2.gz	AECRQJJIEFJLKA-CQSZACIVSA-N	-1	0	438.509	3.259	1	0		IGAFRM
O=C([O-])[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)c1ccccc1	ZINC000001618921	562923180	/nfs/dbraw/zinc/92/31/80/562923180.db2.gz	IOEALHKIPHQKEL-LJQANCHMSA-N	-1	0	428.441	3.182	1	0		IGAFRM
CC(C)Oc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)[N-]C4=O)cc3)n(C)c2n1	ZINC000003824020	562938909	/nfs/dbraw/zinc/93/89/09/562938909.db2.gz	NYZCYOCLLSTCPQ-INIZCTEOSA-N	-1	0	426.498	3.229	1	0		IGAFRM
C/C=C\[C@@H](CC(=O)[O-])CC(=O)NCC[C@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21	ZINC000005923631	562945403	/nfs/dbraw/zinc/94/54/03/562945403.db2.gz	YPSYYNPWNICDRZ-UQYDRJLZSA-N	-1	0	448.463	3.003	1	0		IGAFRM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nc2ccccc2[nH]1	ZINC000013589836	562996499	/nfs/dbraw/zinc/99/64/99/562996499.db2.gz	VDPOBWCVGSGQNQ-HXUWFJFHSA-N	-1	0	428.448	3.241	1	0		IGAFRM
CCc1c(C(=O)C(N)=O)c2c(c3c(cc2OCC(=O)[O-])CCCC3)n1Cc1ccccc1	ZINC000013608908	562997638	/nfs/dbraw/zinc/99/76/38/562997638.db2.gz	XFWYGPJGSADHTQ-UHFFFAOYSA-N	-1	0	434.492	3.262	1	0		IGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1ccc(Br)cc1	ZINC000013807303	563008579	/nfs/dbraw/zinc/00/85/79/563008579.db2.gz	ZMELRSSTECEKFZ-GDBMZVCRSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])Cc1nn(Cc2nc3ccccc3s2)c(=O)c2ccc(Br)cc12	ZINC000013860792	563012646	/nfs/dbraw/zinc/01/26/46/563012646.db2.gz	BVDGRMGFKFZCLQ-UHFFFAOYSA-N	-1	0	430.283	3.444	1	0		IGAFRM
CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2F)CC1	ZINC000032016800	563084011	/nfs/dbraw/zinc/08/40/11/563084011.db2.gz	OCWHBDMTSZBIIF-UHFFFAOYSA-N	-1	0	431.414	3.248	1	0		IGAFRM
CC(C)CCn1c2sccc2c([O-])c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c1=O	ZINC000034271258	563085977	/nfs/dbraw/zinc/08/59/77/563085977.db2.gz	CRKLSNXPPOSLRY-UHFFFAOYSA-N	-1	0	433.511	3.081	1	0		IGAFRM
COc1cc(C2=NN(C(=O)COc3ccccc3)[C@H]3CCC[C@@H]23)c(C)cc1OCC(=O)[O-]	ZINC000035003056	563088779	/nfs/dbraw/zinc/08/87/79/563088779.db2.gz	AJRNDBRFBAKLFK-MJGOQNOKSA-N	-1	0	438.480	3.261	1	0		IGAFRM
COc1cc([C@@H]2CC=C(C(=O)[O-])CN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC	ZINC000036387289	563094622	/nfs/dbraw/zinc/09/46/22/563094622.db2.gz	ZGVRNEPHCVBLMN-SFHVURJKSA-N	-1	0	447.509	3.168	3	0		IGAFRM
CCCCOc1ccc(-c2ccc(CC[C@@]([NH3+])(CO)COP(=O)([O-])[O-])cc2)c(F)c1	ZINC000038269250	563097341	/nfs/dbraw/zinc/09/73/41/563097341.db2.gz	KYGHKMUIVCETMP-OAQYLSRUSA-N	-1	0	441.436	3.403	1	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)Cc1ccc(-c2ccccc2)cc1	ZINC000061904160	563148063	/nfs/dbraw/zinc/14/80/63/563148063.db2.gz	YFCADCJJEDRYRB-RUZDIDTESA-N	-1	0	448.544	3.392	3	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)Cc2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061927978	563150250	/nfs/dbraw/zinc/15/02/50/563150250.db2.gz	WNKVKVLKSPRXJR-NRFANRHFSA-N	-1	0	446.956	3.009	3	0		IGAFRM
COc1cccc(CNC(=O)c2c([O-])c3ncc(Cc4ccc(F)cc4)cc3[nH]c2=O)c1	ZINC000073196280	563169933	/nfs/dbraw/zinc/16/99/33/563169933.db2.gz	CBSXIVIKLPREOK-UHFFFAOYSA-N	-1	0	433.439	3.297	1	0		IGAFRM
NS(=O)(=O)c1ccc(N2N=C(c3nc(=S)o[n-]3)C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000073361033	563172671	/nfs/dbraw/zinc/17/26/71/563172671.db2.gz	BYCUEPLIMMIXJS-HNNXBMFYSA-N	-1	0	435.918	3.015	1	0		IGAFRM
COc1cccc(OC)c1-c1cnnc(N(CC(=O)[O-])Cc2nc3ccccc3s2)n1	ZINC000095583824	563188404	/nfs/dbraw/zinc/18/84/04/563188404.db2.gz	QCKKLVPYSXAAMR-UHFFFAOYSA-N	-1	0	437.481	3.257	1	0		IGAFRM
CC[C@@H](CC(=O)[O-])n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170043	563195520	/nfs/dbraw/zinc/19/55/20/563195520.db2.gz	AECRQJJIEFJLKA-AWEZNQCLSA-N	-1	0	438.509	3.259	1	0		IGAFRM
Cc1cccc(Cl)c1CNC(=O)Nc1ccsc1C1=NC(C(=O)[O-])C(=O)C(=O)N1	ZINC000003583406	562936628	/nfs/dbraw/zinc/93/66/28/562936628.db2.gz	OJIOGXGREHMVEE-UHFFFAOYSA-N	-1	0	434.861	3.186	1	0		IGAFRM
O=C([O-])CCn1cc(Cn2ccnc2)c2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21	ZINC000013765893	563005612	/nfs/dbraw/zinc/00/56/12/563005612.db2.gz	LETDBYAQRZLVRD-UHFFFAOYSA-N	-1	0	442.472	3.301	1	0		IGAFRM
O=C([O-])CC[C@H](NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1	ZINC000027213398	563041037	/nfs/dbraw/zinc/04/10/37/563041037.db2.gz	YARSCZBHMLSKFA-SFHVURJKSA-N	-1	0	435.952	3.381	1	0		IGAFRM
CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2cccc(CC(=O)[O-])c2)C1=O	ZINC000027436231	563042373	/nfs/dbraw/zinc/04/23/73/563042373.db2.gz	NURGVFFFAXQWAP-HSZRJFAPSA-N	-1	0	442.475	3.275	1	0		IGAFRM
CN(C)c1c(Cl)cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c([O-])c1Cl	ZINC000029213564	563076733	/nfs/dbraw/zinc/07/67/33/563076733.db2.gz	WXDYOBRJACGIAW-HNNXBMFYSA-N	-1	0	438.355	3.396	1	0		IGAFRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000035851480	563090194	/nfs/dbraw/zinc/09/01/94/563090194.db2.gz	LNENLABLFGGAFF-FDFHNCONSA-N	-1	0	446.503	3.300	1	0		IGAFRM
CCCCc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)c2cccc(F)c2)cc1	ZINC000061902759	563147870	/nfs/dbraw/zinc/14/78/70/563147870.db2.gz	MEJCMZXOUOZEFE-QFIPXVFZSA-N	-1	0	432.517	3.278	3	0		IGAFRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)cc1	ZINC000061906805	563148658	/nfs/dbraw/zinc/14/86/58/563148658.db2.gz	LPZGXJZYUPITIE-DEOSSOPVSA-N	-1	0	442.581	3.331	3	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)CCC1CCCC1	ZINC000061927660	563150212	/nfs/dbraw/zinc/15/02/12/563150212.db2.gz	GBIWXWFIGOSKKX-LJQANCHMSA-N	-1	0	446.491	3.472	3	0		IGAFRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)c1	ZINC000061929206	563150427	/nfs/dbraw/zinc/15/04/27/563150427.db2.gz	CEHBBGXSQDMHNK-OAQYLSRUSA-N	-1	0	446.956	3.176	3	0		IGAFRM
CN([C@@H]1CCc2c(CC(=O)[O-])c3c(cccc3F)n2C1)S(=O)(=O)c1ccc(F)cc1	ZINC000066100258	563158161	/nfs/dbraw/zinc/15/81/61/563158161.db2.gz	OPXCBJVNMQMZLE-CQSZACIVSA-N	-1	0	434.464	3.182	1	0		IGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccc(F)cc4)CC3)c(F)c21	ZINC000066262400	563160783	/nfs/dbraw/zinc/16/07/83/563160783.db2.gz	HOFFVWHVRGNTCM-UHFFFAOYSA-N	-1	0	431.414	3.464	1	0		IGAFRM
O=C(Nc1cnc2[nH]ccc2c1)c1c(F)ccc([N-]S(=O)(=O)CC(F)(F)F)c1F	ZINC000072179318	563166457	/nfs/dbraw/zinc/16/64/57/563166457.db2.gz	SKBJYHCBLQOWPM-UHFFFAOYSA-N	-1	0	434.346	3.397	1	0		IGAFRM
O=C([O-])CCc1sc(/C=C2\NC(=O)CS2)nc1-c1ccc(Br)cn1	ZINC000095602814	563193298	/nfs/dbraw/zinc/19/32/98/563193298.db2.gz	CVJZLBLHOWALQA-LFYBBSHMSA-N	-1	0	426.317	3.146	1	0		IGAFRM
CC[C@@H](CC(=O)[O-])n1c(=O)c2ncccc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170042	563195545	/nfs/dbraw/zinc/19/55/45/563195545.db2.gz	VKQSKVFPXNALOD-AWEZNQCLSA-N	-1	0	438.509	3.259	1	0		IGAFRM
COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)N(C)c2ccccc2)C3)cc1C	ZINC000013446728	562987011	/nfs/dbraw/zinc/98/70/11/562987011.db2.gz	DFFNEJAPSCUZNT-NRFANRHFSA-N	-1	0	434.496	3.316	1	0		IGAFRM
Cc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000013544139	562992692	/nfs/dbraw/zinc/99/26/92/562992692.db2.gz	PHWFUOBMUZKVKW-DHIUTWEWSA-N	-1	0	430.504	3.148	3	0		IGAFRM
CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O	ZINC000013732950	563002042	/nfs/dbraw/zinc/00/20/42/563002042.db2.gz	PICDFDQFHOVESX-NRFANRHFSA-N	-1	0	428.448	3.346	1	0		IGAFRM
O=C([O-])C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1	ZINC000013797845	563007561	/nfs/dbraw/zinc/00/75/61/563007561.db2.gz	JNBNCWQZPZWAOV-NRFANRHFSA-N	-1	0	439.464	3.262	1	0		IGAFRM
O=C([O-])Cc1nn(Cc2nc3ccccc3s2)c(=O)c2cc(Br)ccc12	ZINC000013860791	563012636	/nfs/dbraw/zinc/01/26/36/563012636.db2.gz	OHIQWUCZXVSXEG-UHFFFAOYSA-N	-1	0	430.283	3.444	1	0		IGAFRM
[NH3+]CCCC[C@@H](C[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026248572	563029995	/nfs/dbraw/zinc/02/99/95/563029995.db2.gz	YMWSZSQXNKPFPB-PMACEKPBSA-N	-1	0	438.505	3.101	1	0		IGAFRM
CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(=O)CF	ZINC000028135868	563051562	/nfs/dbraw/zinc/05/15/62/563051562.db2.gz	PSGIDBYTPHXZKT-WFASDCNBSA-N	-1	0	437.251	3.065	1	0		IGAFRM
COc1c(N2CCc3sc(CO)cc3C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c21	ZINC000028821934	563065574	/nfs/dbraw/zinc/06/55/74/563065574.db2.gz	IOPHTJCXHLSPLQ-UHFFFAOYSA-N	-1	0	444.484	3.299	1	0		IGAFRM
O=C([O-])c1ccc(Cn2cnc3cnc(C(=O)NCc4cccc(Cl)c4)cc3c2=O)cc1	ZINC000029133845	563076019	/nfs/dbraw/zinc/07/60/19/563076019.db2.gz	HQHAWMIMHSUVQD-UHFFFAOYSA-N	-1	0	448.866	3.121	1	0		IGAFRM
CNc1cccc(CCOc2cc(C[C@H](CC(=O)[O-])c3ccc4c(c3)OCO4)nn2C)n1	ZINC000036269279	563092376	/nfs/dbraw/zinc/09/23/76/563092376.db2.gz	VUDQMHAFTAQNOM-MRXNPFEDSA-N	-1	0	438.484	3.008	1	0		IGAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2ccc(Cl)cc2)cc1OC	ZINC000040918212	563111738	/nfs/dbraw/zinc/11/17/38/563111738.db2.gz	RKBGHASJAPIGMP-ITHMCKDVSA-N	-1	0	446.887	3.359	1	0		IGAFRM
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(N3CCOC3=O)ccc12)C(=O)[O-]	ZINC000043023204	563117246	/nfs/dbraw/zinc/11/72/46/563117246.db2.gz	NKGBFKCCSGHHPF-SFHVURJKSA-N	-1	0	448.522	3.399	1	0		IGAFRM
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)[O-]	ZINC000048999878	563135168	/nfs/dbraw/zinc/13/51/68/563135168.db2.gz	GRSFKJZRDUZQPW-ONUMYQOESA-N	-1	0	437.930	3.122	1	0		IGAFRM
N#Cc1ccc2c(c1)CC[C@@H]2[C@@H](CS)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000058528741	563144029	/nfs/dbraw/zinc/14/40/29/563144029.db2.gz	BPQNVNSPWLYVKD-TUNNFDKTSA-N	-1	0	433.533	3.427	1	0		IGAFRM
CC(C)(C(=O)N1CC[C@]1(C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1)c1ccccc1	ZINC000061895452	563147070	/nfs/dbraw/zinc/14/70/70/563147070.db2.gz	GCDBWYGLLGXESB-OAQYLSRUSA-N	-1	0	434.945	3.114	3	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCN1C(=O)Cc1ccc(Cl)cc1Cl	ZINC000061928551	563150328	/nfs/dbraw/zinc/15/03/28/563150328.db2.gz	GXXFVKDIVVCODV-QGZVFWFLSA-N	-1	0	447.365	3.094	3	0		IGAFRM
CC[C@@H](CO)n1cc(C(=O)[O-])c(=O)c2cc(Cc3cccc(Cl)c3F)c(OC)nc21	ZINC000066101102	563158300	/nfs/dbraw/zinc/15/83/00/563158300.db2.gz	BFSRHWMRTBHANZ-ZDUSSCGKSA-N	-1	0	434.851	3.430	1	0		IGAFRM
C[C@H]1CN(Cc2cc(Cl)ccc2CC(=O)[O-])CCN1S(=O)(=O)Cc1ccccc1	ZINC000066103605	563158573	/nfs/dbraw/zinc/15/85/73/563158573.db2.gz	USELGMAYVJTSGV-INIZCTEOSA-N	-1	0	436.961	3.003	1	0		IGAFRM
CCCCOC(=O)NC([N-]c1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F	ZINC000001644576	562923641	/nfs/dbraw/zinc/92/36/41/562923641.db2.gz	IPFXEXVXQZROPJ-UHFFFAOYSA-N	-1	0	437.362	3.093	1	0		IGAFRM
COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@@H]2CCCO2)c3=O)c(OC)c1	ZINC000003631973	562936982	/nfs/dbraw/zinc/93/69/82/562936982.db2.gz	GALXMHNCUFRQJX-HNNXBMFYSA-N	-1	0	441.509	3.134	1	0		IGAFRM
CCO[C@@H](Cc1ccc(OCCN2c3sccc3OCC2=O)c(Cl)c1)C(=O)[O-]	ZINC000012358230	562981638	/nfs/dbraw/zinc/98/16/38/562981638.db2.gz	IQHOWBZNTURRPJ-INIZCTEOSA-N	-1	0	425.890	3.238	1	0		IGAFRM
COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@H]31)O2	ZINC000026144508	563028883	/nfs/dbraw/zinc/02/88/83/563028883.db2.gz	VKZZNADKILHZFB-DTOZKRLXSA-N	-1	0	444.524	3.340	1	0		IGAFRM
CC(C)[C@H](OC(=O)Nc1cc(Cl)ccc1Cl)C(=O)N[C@H](CC(=O)[O-])C(=O)CF	ZINC000028135873	563051550	/nfs/dbraw/zinc/05/15/50/563051550.db2.gz	PSGIDBYTPHXZKT-DOMZBBRYSA-N	-1	0	437.251	3.065	1	0		IGAFRM
O=C([O-])C[C@@H](NC(=O)c1ccc(Cl)cc1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825314	563066222	/nfs/dbraw/zinc/06/62/22/563066222.db2.gz	LKYDZLNBQNYAIT-MRXNPFEDSA-N	-1	0	436.823	3.200	1	0		IGAFRM
O=C([O-])C[C@H](NC(=O)c1cc(Cl)ccc1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825312	563066263	/nfs/dbraw/zinc/06/62/63/563066263.db2.gz	JITOQWXUHZCKLJ-INIZCTEOSA-N	-1	0	436.823	3.200	1	0		IGAFRM
CCOC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)[O-])OC3=O	ZINC000028966529	563070992	/nfs/dbraw/zinc/07/09/92/563070992.db2.gz	GSKWIWOAUZQVES-KYNXZXPVSA-N	-1	0	446.496	3.261	1	0		IGAFRM
CN(C)c1c(Cl)cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c([O-])c1Cl	ZINC000029213558	563076754	/nfs/dbraw/zinc/07/67/54/563076754.db2.gz	WXDYOBRJACGIAW-OAHLLOKOSA-N	-1	0	438.355	3.396	1	0		IGAFRM
O=C(CN1C(C(=O)Nc2ccccc2)=C([O-])c2ccccc2S1(=O)=O)c1ccccc1	ZINC000045357971	563132843	/nfs/dbraw/zinc/13/28/43/563132843.db2.gz	SIXHKGMUKXQHRJ-UHFFFAOYSA-N	-1	0	434.473	3.439	1	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)Cc1ccccc1Cl	ZINC000061905136	563148333	/nfs/dbraw/zinc/14/83/33/563148333.db2.gz	MJMDZJFUETUSRU-QGZVFWFLSA-N	-1	0	447.365	3.094	3	0		IGAFRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN1C(=O)Cc1ccc(C(C)(C)C)cc1	ZINC000061929534	563150473	/nfs/dbraw/zinc/15/04/73/563150473.db2.gz	LNJDIUCFAAEHMF-XMMPIXPASA-N	-1	0	442.581	3.331	3	0		IGAFRM
CCC(CC)NC(=O)c1cnn(-c2ccccn2)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073168884	563169745	/nfs/dbraw/zinc/16/97/45/563169745.db2.gz	JESJFQSTKPDBFW-UHFFFAOYSA-N	-1	0	427.530	3.295	1	0		IGAFRM
Cc1cc(NC(=O)CC(=O)[O-])c2c(c1Oc1ccc(O)c(Cc3ccc(=O)[nH]n3)c1)CCC2	ZINC000095594263	563190937	/nfs/dbraw/zinc/19/09/37/563190937.db2.gz	JXFGOPVZKOCANI-UHFFFAOYSA-N	-1	0	449.463	3.069	1	0		IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000028756963	581096013	/nfs/dbraw/zinc/09/60/13/581096013.db2.gz	YEXQQQZDCCDPJD-YNWKUBOOSA-N	-1	0	431.529	3.200	1	0		IGAFRM
Cc1nc(C)c2c([O-])cc(=O)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c2n1	ZINC000001484180	562922153	/nfs/dbraw/zinc/92/21/53/562922153.db2.gz	YROKAAIPBSCMJN-UHFFFAOYSA-N	-1	0	425.452	3.009	1	0		IGAFRM
CCCCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)[O-]	ZINC000004435552	562943289	/nfs/dbraw/zinc/94/32/89/562943289.db2.gz	ZNBHFDHNRVIPLX-UHFFFAOYSA-N	-1	0	430.526	3.436	3	0		IGAFRM
C/C=C\[C@@H](CC(=O)[O-])CC(=O)NCC[C@@H]1CN(S(=O)(=O)C(F)(F)F)c2ccccc21	ZINC000005923624	562945410	/nfs/dbraw/zinc/94/54/10/562945410.db2.gz	YPSYYNPWNICDRZ-HJHBSRAZSA-N	-1	0	448.463	3.003	1	0		IGAFRM
CCOC(=O)C1=C(C)N(CCCC(=O)[O-])C(=O)N[C@@H]1c1ccc(Br)cc1	ZINC000013125885	562984853	/nfs/dbraw/zinc/98/48/53/562984853.db2.gz	IODPYTVEPBOYMC-MRXNPFEDSA-N	-1	0	425.279	3.217	3	0		IGAFRM
CN(C)C(=O)c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cc(C(N)=[NH2+])ccc3[O-])n2)c1	ZINC000013474065	562988675	/nfs/dbraw/zinc/98/86/75/562988675.db2.gz	RPCHETUIUZUTRF-UHFFFAOYSA-N	-1	0	436.424	3.056	1	0		IGAFRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1nc2ccccc2[nH]1	ZINC000013589837	562996481	/nfs/dbraw/zinc/99/64/81/562996481.db2.gz	VDPOBWCVGSGQNQ-FQEVSTJZSA-N	-1	0	428.448	3.241	1	0		IGAFRM
COc1cc(OC)nc(O[C@@H](C(=O)[O-])C(OC)(c2ccccc2F)c2ccccc2F)n1	ZINC000013756043	563004348	/nfs/dbraw/zinc/00/43/48/563004348.db2.gz	GDDNQACXSFFUGL-IBGZPJMESA-N	-1	0	446.406	3.194	1	0		IGAFRM
CCc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)[O-])cc2)c2ccccc(OC)c1-2	ZINC000013826257	563010518	/nfs/dbraw/zinc/01/05/18/563010518.db2.gz	KJGDTIUIPAKSCA-UHFFFAOYSA-N	-1	0	443.521	3.347	1	0		IGAFRM
O=C([O-])c1ccc(COC(=O)[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)c2ccccc2)cc1	ZINC000013862663	563013081	/nfs/dbraw/zinc/01/30/81/563013081.db2.gz	HGGYPXPOQJEYGH-VXKWHMMOSA-N	-1	0	443.455	3.338	1	0		IGAFRM
Cc1cc2nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)n2n1	ZINC000013889362	563013747	/nfs/dbraw/zinc/01/37/47/563013747.db2.gz	GVFNYMNXBDTVHT-RKQNLGICSA-N	-1	0	425.460	3.321	1	0		IGAFRM
COc1ccc(-c2ccc(S(=O)(=O)N[C@@](C)(C(=O)[O-])C3CCC(O)CC3)cc2)cc1	ZINC000027657938	563045472	/nfs/dbraw/zinc/04/54/72/563045472.db2.gz	RMJFXTVVOBTABN-RWWKDMOOSA-N	-1	0	433.526	3.035	1	0		IGAFRM
Cc1oc(-c2cccc(NC(=O)C3CC3)c2)nc1C(=O)N(CC(=O)[O-])Cc1ccccn1	ZINC000040409634	563101634	/nfs/dbraw/zinc/10/16/34/563101634.db2.gz	SNHITRLCGZWQOE-UHFFFAOYSA-N	-1	0	434.452	3.121	1	0		IGAFRM
CSCC[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2ccccc2n1C)C(=O)[O-]	ZINC000040411386	563101778	/nfs/dbraw/zinc/10/17/78/563101778.db2.gz	LOJLGEFJUZEBHO-QGZVFWFLSA-N	-1	0	425.510	3.367	1	0		IGAFRM
C[C@H]1COc2c(N3CCN(C)[C@H](c4ccccc4)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000040620529	563105644	/nfs/dbraw/zinc/10/56/44/563105644.db2.gz	PSHGURONELHXJB-LIRRHRJNSA-N	-1	0	437.471	3.285	1	0		IGAFRM
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000043743814	563121309	/nfs/dbraw/zinc/12/13/09/563121309.db2.gz	WAXPCGVGHNBJHV-XQBPLPMBSA-N	-1	0	449.532	3.328	1	0		IGAFRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@]1(C)CCN1C(=O)C1(c2ccccc2)CCCC1	ZINC000061928748	563150380	/nfs/dbraw/zinc/15/03/80/563150380.db2.gz	KNTUNPDPDCEIFU-QHCPKHFHSA-N	-1	0	440.565	3.303	3	0		IGAFRM
COc1nc2c(cc1NCc1ccc(F)cc1)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)(C)C	ZINC000066112091	563158988	/nfs/dbraw/zinc/15/89/88/563158988.db2.gz	IIBZCLHLPPNOHF-GOSISDBHSA-N	-1	0	443.475	3.434	1	0		IGAFRM
NS(=O)(=O)c1ccc(N2N=C(c3n[n-]c(=S)o3)C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000073129800	563168631	/nfs/dbraw/zinc/16/86/31/563168631.db2.gz	QUNNNXGQODMRNO-OAHLLOKOSA-N	-1	0	435.918	3.015	1	0		IGAFRM
COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1	ZINC000084722551	563177902	/nfs/dbraw/zinc/17/79/02/563177902.db2.gz	HCTQTECZEUHBBS-FSSWDIPSSA-N	-1	0	444.443	3.445	1	0		IGAFRM
CC[C@H](CC(=O)[O-])n1c(=O)c2ccncc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170054	563195531	/nfs/dbraw/zinc/19/55/31/563195531.db2.gz	XWMWMZSXZMVLOD-CQSZACIVSA-N	-1	0	438.509	3.259	1	0		IGAFRM
CCCCc1nc(Cl)c(CC(=O)OC)n1Cc1ccc(NC(=O)CCC(=O)[O-])cc1	ZINC000013493338	562990888	/nfs/dbraw/zinc/99/08/88/562990888.db2.gz	RWPAXZZFVLBIIM-UHFFFAOYSA-N	-1	0	435.908	3.446	1	0		IGAFRM
COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)[C@H]2CC(=O)[O-]	ZINC000013601252	562996828	/nfs/dbraw/zinc/99/68/28/562996828.db2.gz	FBHMTMQCCJIXDA-HNNXBMFYSA-N	-1	0	436.233	3.338	1	0		IGAFRM
COc1cc(OC)nc(O[C@H](C(=O)[O-])C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1	ZINC000013756024	563004407	/nfs/dbraw/zinc/00/44/07/563004407.db2.gz	FTHTWZGSLVJZJB-LJQANCHMSA-N	-1	0	446.406	3.194	1	0		IGAFRM
CC(C)[C@@H](C(=O)[O-])N(C(=O)CC[C@H](C)O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000026384572	563031575	/nfs/dbraw/zinc/03/15/75/563031575.db2.gz	WIQNTCSSBLTCDW-BTYIYWSLSA-N	-1	0	437.500	3.137	1	0		IGAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([C@@H](O)C(=O)[O-])cc1	ZINC000027870175	563047635	/nfs/dbraw/zinc/04/76/35/563047635.db2.gz	RMZFEJHUEFKIBK-NQIIRXRSSA-N	-1	0	426.469	3.068	1	0		IGAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@H]1Oc1ccc([C@H](O)C(=O)[O-])cc1	ZINC000027870190	563047658	/nfs/dbraw/zinc/04/76/58/563047658.db2.gz	RMZFEJHUEFKIBK-RXVVDRJESA-N	-1	0	426.469	3.068	1	0		IGAFRM
CC(C)[C@H](OC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N[C@H](CC(=O)[O-])C(=O)CF	ZINC000028131325	563051354	/nfs/dbraw/zinc/05/13/54/563051354.db2.gz	LULCZGRQLNZNBA-DOMZBBRYSA-N	-1	0	437.251	3.065	1	0		IGAFRM
COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)[O-])ccc1OCCCn1ccc2cccnc21	ZINC000028706694	563062094	/nfs/dbraw/zinc/06/20/94/563062094.db2.gz	GUMLEPLBDXGUCF-FQEVSTJZSA-N	-1	0	436.468	3.227	1	0		IGAFRM
C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])C[C@H](C)N1C(=O)Cc1ccccc1	ZINC000035920130	563090339	/nfs/dbraw/zinc/09/03/39/563090339.db2.gz	AFHZNYOZSHABDK-CALCHBBNSA-N	-1	0	430.932	3.467	1	0		IGAFRM
NC(=O)NCc1ccc(NC(=O)/C=C2\C[C@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040712548	563106010	/nfs/dbraw/zinc/10/60/10/563106010.db2.gz	JCCJCTNJPWOBID-HKUPYCBJSA-N	-1	0	449.294	3.453	1	0		IGAFRM
O=C([O-])CNC(=O)c1c2ncn(Cc3ccccc3)c2cc2c1ncn2Cc1ccccc1	ZINC000043208290	563119627	/nfs/dbraw/zinc/11/96/27/563119627.db2.gz	IVMFYFMJELYHAU-UHFFFAOYSA-N	-1	0	439.475	3.297	1	0		IGAFRM
COc1ccc(Cn2nnc(-c3cccc(C(=O)NCc4ccc(C(=O)[O-])cc4)c3)n2)cc1	ZINC000045386357	563133820	/nfs/dbraw/zinc/13/38/20/563133820.db2.gz	VUTBCSIBPMXNCZ-UHFFFAOYSA-N	-1	0	443.463	3.025	1	0	in-vitro	IGAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1cccc2ccccc21	ZINC000058583226	563145237	/nfs/dbraw/zinc/14/52/37/563145237.db2.gz	GTKYDJPXCCXECN-NRFANRHFSA-N	-1	0	449.459	3.264	1	0		IGAFRM
COc1nc2c(cc1NCc1ccc(F)cc1)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C	ZINC000066112090	563159013	/nfs/dbraw/zinc/15/90/13/563159013.db2.gz	RPONGJYRRAKFHJ-GOSISDBHSA-N	-1	0	429.448	3.044	1	0		IGAFRM
Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)c2ccccc2[O-])cc1	ZINC000084690985	563176468	/nfs/dbraw/zinc/17/64/68/563176468.db2.gz	DICWUQOEMHNJMD-UHFFFAOYSA-N	-1	0	425.388	3.230	1	0		IGAFRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)NCCc1ccccc1	ZINC000095872283	563194743	/nfs/dbraw/zinc/19/47/43/563194743.db2.gz	DXBXAKFDMQPVBU-ZLNRFVROSA-N	-1	0	434.536	3.362	1	0		IGAFRM
CCC[C@H](C(=O)[O-])n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170048	563195518	/nfs/dbraw/zinc/19/55/18/563195518.db2.gz	ZBIUWIWTJRDATO-QGZVFWFLSA-N	-1	0	438.509	3.259	1	0		IGAFRM
CCOC(=O)[C@@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000169367603	581096007	/nfs/dbraw/zinc/09/60/07/581096007.db2.gz	YEXQQQZDCCDPJD-OBJCFNGXSA-N	-1	0	431.529	3.200	1	0		IGAFRM
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1	ZINC000013130229	562984950	/nfs/dbraw/zinc/98/49/50/562984950.db2.gz	FLPAENAULMRLDS-BHJKQYKASA-N	-1	0	443.459	3.344	3	0		IGAFRM
NC(=O)Nc1cccc(-c2cccc(S(=O)(=O)N[C@H](CC(=O)[O-])c3ccccc3)c2)c1	ZINC000013436799	562985932	/nfs/dbraw/zinc/98/59/32/562985932.db2.gz	HRQRCBHBVPQEDS-HXUWFJFHSA-N	-1	0	439.493	3.339	1	0		IGAFRM
Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(CC(=O)[O-])C2=O)c1	ZINC000013732625	563002044	/nfs/dbraw/zinc/00/20/44/563002044.db2.gz	WMUAZVBWFKBBJD-QHCPKHFHSA-N	-1	0	442.475	3.411	1	0		IGAFRM
CN1c2ccccc2C(c2ccccc2)=N[C@H](NC(=O)Nc2ccc(C(=O)[O-])cc2)C1=O	ZINC000013732947	563002051	/nfs/dbraw/zinc/00/20/51/563002051.db2.gz	PICDFDQFHOVESX-OAQYLSRUSA-N	-1	0	428.448	3.346	1	0		IGAFRM
CCc1c(Cc2cccc3ccccc32)n2cccc(OCC(=O)[O-])c2c1C(=O)C(N)=O	ZINC000013758448	563004684	/nfs/dbraw/zinc/00/46/84/563004684.db2.gz	DUKKAKKHERVCSN-UHFFFAOYSA-N	-1	0	430.460	3.377	1	0		IGAFRM
O=C([O-])C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)CCc1ccc(-c2ccccc2)cc1	ZINC000013797875	563007596	/nfs/dbraw/zinc/00/75/96/563007596.db2.gz	XTRJAENNSAJIAU-HSZRJFAPSA-N	-1	0	449.528	3.307	1	0		IGAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Nc2c(C)nc(C)nc2C)c1Cl	ZINC000013801662	563007895	/nfs/dbraw/zinc/00/78/95/563007895.db2.gz	QJBYQUFPDVTSCC-UHFFFAOYSA-N	-1	0	441.922	3.466	1	0		IGAFRM
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])c2n3[C@@H](c3ccccc3)S2)CC1	ZINC000027524661	563043094	/nfs/dbraw/zinc/04/30/94/563043094.db2.gz	QJCQBXDZCGETSF-HXUWFJFHSA-N	-1	0	425.485	3.243	1	0		IGAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4ccccn4)CC3)c(C(F)F)c21	ZINC000027855613	563047388	/nfs/dbraw/zinc/04/73/88/563047388.db2.gz	KODCTCSMKJXHTC-UHFFFAOYSA-N	-1	0	432.402	3.035	1	0		IGAFRM
O=C([O-])c1cn(C2CC2)c2c(F)c(N3CC(Sc4ncccn4)C3)c(F)cc2c1=O	ZINC000028819213	563065096	/nfs/dbraw/zinc/06/50/96/563065096.db2.gz	NUFXMVRCLLEJQB-UHFFFAOYSA-N	-1	0	430.436	3.084	1	0		IGAFRM
COc1ccc(-n2c3scnc3c([O-])c(C(=O)NCc3ccc(F)cc3)c2=O)cc1	ZINC000035010325	563088767	/nfs/dbraw/zinc/08/87/67/563088767.db2.gz	WVTYGSFKLMMNEZ-UHFFFAOYSA-N	-1	0	425.441	3.231	1	0		IGAFRM
CNc1cccc(CCOc2cc(C[C@@H](CC(=O)[O-])c3ccc4c(c3)OCO4)nn2C)n1	ZINC000036269276	563092369	/nfs/dbraw/zinc/09/23/69/563092369.db2.gz	VUDQMHAFTAQNOM-INIZCTEOSA-N	-1	0	438.484	3.008	1	0		IGAFRM
COc1ccc([C@@H](CC(=O)[O-])Cc2cc(OCCc3ccc4c(n3)NCCC4)no2)cn1	ZINC000036269253	563092380	/nfs/dbraw/zinc/09/23/80/563092380.db2.gz	QHSKOAKVMQHGPS-QGZVFWFLSA-N	-1	0	438.484	3.254	1	0		IGAFRM
O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(-c3c4c(ccc3O)OCO4)c2)c1	ZINC000045495802	563134402	/nfs/dbraw/zinc/13/44/02/563134402.db2.gz	UJIKQCUHPWANKS-UHFFFAOYSA-N	-1	0	431.397	3.426	1	0		IGAFRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)Cc2ccc(C(C)(C)C)cc2)cc1	ZINC000061906806	563148661	/nfs/dbraw/zinc/14/86/61/563148661.db2.gz	LPZGXJZYUPITIE-XMMPIXPASA-N	-1	0	442.581	3.331	3	0		IGAFRM
COc1nc2c(cc1NCc1ccc(F)cc1F)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C	ZINC000066112295	563158999	/nfs/dbraw/zinc/15/89/99/563158999.db2.gz	LQTRKLNMSDOXOL-GOSISDBHSA-N	-1	0	447.438	3.183	1	0		IGAFRM
O=C([O-])c1c(-c2c[nH]c(=O)[nH]c2=O)c2cc(Cl)ccc2n1Cc1ccc(F)cc1F	ZINC000072179392	563166449	/nfs/dbraw/zinc/16/64/49/563166449.db2.gz	LVHBJDHQEIBRCR-UHFFFAOYSA-N	-1	0	431.782	3.363	1	0		IGAFRM
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@H]([N-]C(=O)C(F)(F)F)C[C@H]2O	ZINC000084635141	563174798	/nfs/dbraw/zinc/17/47/98/563174798.db2.gz	HUYVGSBPTQXJBS-ZIAGYGMSSA-N	-1	0	427.375	3.242	1	0		IGAFRM
COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)c2c1ncn2CC(=O)[O-]	ZINC000096931684	563198732	/nfs/dbraw/zinc/19/87/32/563198732.db2.gz	MRHWWVOJAKSHSP-UHFFFAOYSA-N	-1	0	439.424	3.477	1	0		IGAFRM
CCOC(=O)[C@@H](CCc1ccccc1)O[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000169367601	581096047	/nfs/dbraw/zinc/09/60/47/581096047.db2.gz	YEXQQQZDCCDPJD-OFOKGCAXSA-N	-1	0	431.529	3.200	1	0		IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-]	ZINC000253701712	581096052	/nfs/dbraw/zinc/09/60/52/581096052.db2.gz	YEXQQQZDCCDPJD-JFHUYLGKSA-N	-1	0	431.529	3.200	1	0		IGAFRM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1	ZINC000000627437	132227895	/nfs/dbraw/zinc/22/78/95/132227895.db2.gz	FPTQRJBKCMEAEU-PMACEKPBSA-N	-1	0	433.508	3.255	3	0		IGAFRM
COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1	ZINC000001324424	562921208	/nfs/dbraw/zinc/92/12/08/562921208.db2.gz	RYHSAXRBHDHPPK-UHFFFAOYSA-N	-1	0	432.454	3.359	3	0		IGAFRM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	ZINC000004295302	562943025	/nfs/dbraw/zinc/94/30/25/562943025.db2.gz	LNENLABLFGGAFF-BDTNDASRSA-N	-1	0	446.503	3.300	3	0		IGAFRM
C[C@@H](O)CCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358414	562981719	/nfs/dbraw/zinc/98/17/19/562981719.db2.gz	BDLDSSMAHRDDGB-VGOFRKELSA-N	-1	0	427.497	3.428	1	0		IGAFRM
NC(=O)Nc1cccc(-c2cccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c3ccccc3)c2)c1	ZINC000013436795	562985947	/nfs/dbraw/zinc/98/59/47/562985947.db2.gz	HRQRCBHBVPQEDS-FQEVSTJZSA-N	-1	0	439.493	3.339	1	0		IGAFRM
Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000013544137	562992759	/nfs/dbraw/zinc/99/27/59/562992759.db2.gz	PHWFUOBMUZKVKW-GOTSBHOMSA-N	-1	0	430.504	3.148	3	0		IGAFRM
CCCN(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)c1[nH]c(=O)ccc1C(=O)[O-]	ZINC000013832844	563011579	/nfs/dbraw/zinc/01/15/79/563011579.db2.gz	PVOFMAFFVLLKTC-UHFFFAOYSA-N	-1	0	430.468	3.337	1	0		IGAFRM
CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000015959414	563020381	/nfs/dbraw/zinc/02/03/81/563020381.db2.gz	WAXPCGVGHNBJHV-CNNODRBYSA-N	-1	0	449.532	3.328	1	0		IGAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccc3c(c2)OCO3)[C@@H]1Oc1ccc(C(=O)[O-])cc1	ZINC000027207096	563040857	/nfs/dbraw/zinc/04/08/57/563040857.db2.gz	NIXWODLMZOUNNT-OAQYLSRUSA-N	-1	0	440.452	3.377	1	0		IGAFRM
CC(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)[O-])[C@@H]3C(=O)C[C@]12C	ZINC000027518963	563042576	/nfs/dbraw/zinc/04/25/76/563042576.db2.gz	UHWOAYITUVVFCV-GYMVGTFWSA-N	-1	0	434.529	3.226	1	0		IGAFRM
CC(C)[C@H](OC(=O)Nc1ccc(Cl)cc1Cl)C(=O)N[C@@H](CC(=O)[O-])C(=O)CF	ZINC000028131318	563051349	/nfs/dbraw/zinc/05/13/49/563051349.db2.gz	LULCZGRQLNZNBA-WFASDCNBSA-N	-1	0	437.251	3.065	1	0		IGAFRM
O=C([O-])Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21	ZINC000028526796	563056965	/nfs/dbraw/zinc/05/69/65/563056965.db2.gz	MAHHLYFOSVAMOE-UHFFFAOYSA-N	-1	0	434.477	3.216	1	0		IGAFRM
COc1cc(Cc2cnc(N)nc2N)cc(OCCCCCC(=O)[O-])c1Br	ZINC000029205862	563076406	/nfs/dbraw/zinc/07/64/06/563076406.db2.gz	XFOPYVPSJIAXSQ-UHFFFAOYSA-N	-1	0	439.310	3.027	1	0		IGAFRM
Cc1c(N2CC[C@H]([C@@H](N)C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12	ZINC000029565230	563082595	/nfs/dbraw/zinc/08/25/95/563082595.db2.gz	OLTAEWBIFKSPJW-APPDUMDISA-N	-1	0	427.398	3.039	1	0		IGAFRM
NC(=O)NCc1ccc(NC(=O)/C=C2\C[C@@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040712551	563106013	/nfs/dbraw/zinc/10/60/13/563106013.db2.gz	JCCJCTNJPWOBID-RFKZRZAASA-N	-1	0	449.294	3.453	1	0		IGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4cc(C)oc4C)CC3)cc21	ZINC000045289300	563128683	/nfs/dbraw/zinc/12/86/83/563128683.db2.gz	WPUFTJBOWQFFHF-UHFFFAOYSA-N	-1	0	441.459	3.031	1	0		IGAFRM
COc1cccc(Cn2nnc(-c3cccc(C(=O)NCc4ccc(C(=O)[O-])cc4)c3)n2)c1	ZINC000045348356	563132116	/nfs/dbraw/zinc/13/21/16/563132116.db2.gz	IPXYUVOQPGOREM-UHFFFAOYSA-N	-1	0	443.463	3.025	1	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1	ZINC000061903741	563147999	/nfs/dbraw/zinc/14/79/99/563147999.db2.gz	OTQSZMLNYYLPML-OAQYLSRUSA-N	-1	0	446.956	3.258	3	0		IGAFRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)cc1	ZINC000061929728	563150483	/nfs/dbraw/zinc/15/04/83/563150483.db2.gz	WHZQWLRJOAVVFV-NRFANRHFSA-N	-1	0	446.956	3.176	3	0		IGAFRM
C[C@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000084708917	563177127	/nfs/dbraw/zinc/17/71/27/563177127.db2.gz	ZWYVJWLNWNOOGH-AWEZNQCLSA-N	-1	0	432.542	3.474	1	0		IGAFRM
COc1c([O-])c(Cc2cc[nH]c2)c2oc(-c3ccc(O)cc3)cc(=O)c2c1OCCCO	ZINC000103533355	291357213	/nfs/dbraw/zinc/35/72/13/291357213.db2.gz	JIVDLHBOKOCLSP-UHFFFAOYSA-N	-1	0	436.440	3.346	1	0	biogenic,in-vitro	IGAFRM
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3C(F)(F)F)no2)c(=O)c2ccccc12	ZINC000013449026	562987091	/nfs/dbraw/zinc/98/70/91/562987091.db2.gz	NOWLYDGDNFLMJA-UHFFFAOYSA-N	-1	0	430.342	3.141	1	0		IGAFRM
CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013537716	562992526	/nfs/dbraw/zinc/99/25/26/562992526.db2.gz	JTOZWTDCDPQQIV-QIBNFDNFSA-N	-1	0	444.572	3.113	1	0		IGAFRM
CCc1c(Cc2cccc(C(F)(F)F)c2)n2cccc(OCC(=O)[O-])c2c1C(=O)C(N)=O	ZINC000013758446	563004755	/nfs/dbraw/zinc/00/47/55/563004755.db2.gz	NJPROSWBIXBLCH-UHFFFAOYSA-N	-1	0	448.397	3.243	1	0		IGAFRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	ZINC000016007510	563020656	/nfs/dbraw/zinc/02/06/56/563020656.db2.gz	LNENLABLFGGAFF-FSSWDIPSSA-N	-1	0	446.503	3.300	1	0		IGAFRM
C[C@H](NC(=O)[C@@H](CSC(=O)[O-])Cc1ccc2c(c1)OCO2)C(=O)OCc1ccccc1	ZINC000027076982	563039022	/nfs/dbraw/zinc/03/90/22/563039022.db2.gz	PMAMHXNBDDBSRQ-WMLDXEAASA-N	-1	0	445.493	3.233	1	0		IGAFRM
COCc1nc(-c2ccc(C(=O)NCc3ccc(OC(C)(C)C(=O)[O-])cc3)cc2)no1	ZINC000028978962	563071486	/nfs/dbraw/zinc/07/14/86/563071486.db2.gz	XFJMAVNMEITXBO-UHFFFAOYSA-N	-1	0	425.441	3.055	1	0		IGAFRM
COc1ccc(CNC(=O)c2ccc3ncn(Cc4ccc(C(=O)[O-])cc4)c(=O)c3c2)cc1	ZINC000029133337	563075912	/nfs/dbraw/zinc/07/59/12/563075912.db2.gz	WMRPTLRLGQOISA-UHFFFAOYSA-N	-1	0	443.459	3.082	1	0		IGAFRM
Cc1c(N2CC[C@@H]([C@@H](N)C(F)(F)F)C2)c(F)cn2c(=O)c(C(=O)[O-])cc(C3CC3)c12	ZINC000029565234	563082596	/nfs/dbraw/zinc/08/25/96/563082596.db2.gz	OLTAEWBIFKSPJW-PIGZYNQJSA-N	-1	0	427.398	3.039	1	0		IGAFRM
CCCCOc1ccc(-c2ccc(CC[C@]([NH3+])(CO)COP(=O)([O-])[O-])cc2)c(F)c1	ZINC000038269251	563097307	/nfs/dbraw/zinc/09/73/07/563097307.db2.gz	KYGHKMUIVCETMP-NRFANRHFSA-N	-1	0	441.436	3.403	1	0		IGAFRM
CC(=O)N1CCN(C(=O)c2cccc(Sc3cnc([N-]c4ncccn4)s3)c2)CC1	ZINC000040763479	563106457	/nfs/dbraw/zinc/10/64/57/563106457.db2.gz	FUBOTVNFNSUKEY-UHFFFAOYSA-N	-1	0	440.554	3.132	1	0		IGAFRM
CO[N-]C(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(NCc3ccccc3)ncc2c1=O	ZINC000040898990	563110825	/nfs/dbraw/zinc/11/08/25/563110825.db2.gz	MDSVXZNMKUVMPK-UHFFFAOYSA-N	-1	0	441.491	3.173	1	0		IGAFRM
CC(C)(C)c1ccc(CC(=O)N2CC[C@]2(C)C(=O)[N-]S(=O)(=O)c2cccc(F)c2)cc1	ZINC000061896381	563147340	/nfs/dbraw/zinc/14/73/40/563147340.db2.gz	LWSSUVZTEQVFAF-HSZRJFAPSA-N	-1	0	446.544	3.162	3	0		IGAFRM
O=C([O-])CN1CN(Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2cc(Cl)ccc21	ZINC000066259664	563160583	/nfs/dbraw/zinc/16/05/83/563160583.db2.gz	QBLUWJLDDZWKDZ-UHFFFAOYSA-N	-1	0	434.823	3.412	1	0		IGAFRM
O=C(NCc1ccc(F)cc1)c1c(=O)c(=O)n(Cc2ccc(F)cc2)[n-]c1C(F)(F)F	ZINC000084713085	563177782	/nfs/dbraw/zinc/17/77/82/563177782.db2.gz	DMZFXWMIQSEQMA-UHFFFAOYSA-N	-1	0	439.340	3.224	1	0		IGAFRM
CCC(CC)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000095575998	563185842	/nfs/dbraw/zinc/18/58/42/563185842.db2.gz	MEYSMMXCFXKLCG-UHFFFAOYSA-N	-1	0	429.492	3.259	1	0		IGAFRM
CCOC(=O)[C@@H](CCc1ccccc1)O[C@@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000028756960	581096001	/nfs/dbraw/zinc/09/60/01/581096001.db2.gz	YEXQQQZDCCDPJD-OUJGAGHGSA-N	-1	0	431.529	3.200	1	0		IGAFRM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1	ZINC000000627438	132227939	/nfs/dbraw/zinc/22/79/39/132227939.db2.gz	FPTQRJBKCMEAEU-UXHICEINSA-N	-1	0	433.508	3.255	3	0		IGAFRM
O=C(NCc1ccccc1Cl)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O	ZINC000003630220	562937029	/nfs/dbraw/zinc/93/70/29/562937029.db2.gz	ISFQCEYOUJWELC-HNNXBMFYSA-N	-1	0	429.929	3.448	1	0		IGAFRM
C[C@H](O)CCCCN1c2ccccc2O[C@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358415	562981695	/nfs/dbraw/zinc/98/16/95/562981695.db2.gz	BDLDSSMAHRDDGB-HTAPYJJXSA-N	-1	0	427.497	3.428	1	0		IGAFRM
COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)[C@@H](C)c2ccccc2)C3)cc1C	ZINC000013446743	562986994	/nfs/dbraw/zinc/98/69/94/562986994.db2.gz	FBFULINYKCLAMW-JTSKRJEESA-N	-1	0	433.508	3.390	1	0		IGAFRM
COc1cc(OC)nc(O[C@@H](C(=O)[O-])C(OC)(c2ccc(F)cc2)c2ccc(F)cc2)n1	ZINC000013756023	563004392	/nfs/dbraw/zinc/00/43/92/563004392.db2.gz	FTHTWZGSLVJZJB-IBGZPJMESA-N	-1	0	446.406	3.194	1	0		IGAFRM
O=C([O-])CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21	ZINC000014976805	563017105	/nfs/dbraw/zinc/01/71/05/563017105.db2.gz	ABVCZPJCOYQLBK-HXUWFJFHSA-N	-1	0	437.254	3.234	1	0		IGAFRM
O=S(=O)([N-]C[C@@H](O)c1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F	ZINC000026189168	563029938	/nfs/dbraw/zinc/02/99/38/563029938.db2.gz	GOFVGMNCCZECDT-GOSISDBHSA-N	-1	0	426.416	3.286	1	0		IGAFRM
O=C([O-])CC[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)NN1CCC2(CCCCC2)CC1	ZINC000027213394	563041067	/nfs/dbraw/zinc/04/10/67/563041067.db2.gz	YARSCZBHMLSKFA-GOSISDBHSA-N	-1	0	435.952	3.381	1	0		IGAFRM
CC(C)CCn1c(Cn2c3ccccc3n(CCCc3nnn[n-]3)c2=O)nc2ccccc21	ZINC000028569862	563059044	/nfs/dbraw/zinc/05/90/44/563059044.db2.gz	AJHFVSKGKOJDQT-UHFFFAOYSA-N	-1	0	444.543	3.393	1	0		IGAFRM
O=C([O-])C[C@@H](NC(=O)c1c(Cl)cccc1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825309	563066265	/nfs/dbraw/zinc/06/62/65/563066265.db2.gz	TWCOBQBGPHPXOP-OAHLLOKOSA-N	-1	0	436.823	3.200	1	0		IGAFRM
O=C([O-])c1ccc(OCCn2c(=O)on(C(c3ccccc3)c3ccccc3)c2=O)cc1	ZINC000040565010	563104779	/nfs/dbraw/zinc/10/47/79/563104779.db2.gz	RIVUMQPAWWBLII-UHFFFAOYSA-N	-1	0	432.432	3.018	1	0		IGAFRM
CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)[N-]S(=O)(=O)c2cccs2)cc1	ZINC000061896087	563147325	/nfs/dbraw/zinc/14/73/25/563147325.db2.gz	DEFWIPCMPIXCTO-NRFANRHFSA-N	-1	0	434.583	3.084	3	0		IGAFRM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1C(=O)NCCc1ccccc1	ZINC000095872281	563194715	/nfs/dbraw/zinc/19/47/15/563194715.db2.gz	DXBXAKFDMQPVBU-VJBWXMMDSA-N	-1	0	434.536	3.362	1	0		IGAFRM
COc1ccc(OC)c(NC(=O)c2ccc([N-]S(=O)(=O)c3c(C)noc3C)cc2)c1	ZINC000004001670	562940616	/nfs/dbraw/zinc/94/06/16/562940616.db2.gz	ORROXQWBJNDUKZ-UHFFFAOYSA-N	-1	0	431.470	3.362	3	0		IGAFRM
CCCc1nc([C@H](C)O)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013745663	563003862	/nfs/dbraw/zinc/00/38/62/563003862.db2.gz	XHOWFCWWVKXYFG-AWEZNQCLSA-N	-1	0	432.484	3.483	1	0		IGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccccc1Br	ZINC000013807273	563008536	/nfs/dbraw/zinc/00/85/36/563008536.db2.gz	WFXQCDCLSNIHRG-HOCLYGCPSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])c1cn(C2CC2)c2c(F)c(N3CCN(c4ccccn4)CC3)c(F)cc2c1=O	ZINC000026830822	563037212	/nfs/dbraw/zinc/03/72/12/563037212.db2.gz	MQVIRKXWEZGJTB-UHFFFAOYSA-N	-1	0	426.423	3.034	1	0		IGAFRM
CC(=O)O[C@]1(C(=O)[O-])[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C(C)[C@@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C	ZINC000026985243	563038623	/nfs/dbraw/zinc/03/86/23/563038623.db2.gz	BXUCFXRZHITJPF-DAFDQTNXSA-N	-1	0	434.504	3.380	1	0		IGAFRM
CCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)CC1	ZINC000029341477	563078462	/nfs/dbraw/zinc/07/84/62/563078462.db2.gz	SIXCQLMRDOZHSO-UHFFFAOYSA-N	-1	0	441.434	3.026	1	0		IGAFRM
COc1cc(C2=NN(C(=O)COc3ccccc3)[C@H]3CCC[C@H]23)c(C)cc1OCC(=O)[O-]	ZINC000035003053	563088776	/nfs/dbraw/zinc/08/87/76/563088776.db2.gz	AJRNDBRFBAKLFK-HKUYNNGSSA-N	-1	0	438.480	3.261	1	0		IGAFRM
COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)/C=C\c2ccccc2)C3)cc1C	ZINC000036222395	563092218	/nfs/dbraw/zinc/09/22/18/563092218.db2.gz	NLUAVWDLDITTCI-DMGQTMSCSA-N	-1	0	431.492	3.300	1	0		IGAFRM
COCc1cccc(C[C@H](O)/C=C/[C@H]2CSC(=O)N2CCSCCCC(=O)[O-])c1	ZINC000036403157	563095167	/nfs/dbraw/zinc/09/51/67/563095167.db2.gz	MVEMMBOSLWSLRW-YZPMEYCISA-N	-1	0	439.599	3.428	1	0		IGAFRM
C[C@@H]1COc2c(N3CCN(C)[C@H](c4ccccc4)C3)c(F)cc3c(=O)c(C(=O)[O-])cn1c32	ZINC000040620525	563105653	/nfs/dbraw/zinc/10/56/53/563105653.db2.gz	PSHGURONELHXJB-KUHUBIRLSA-N	-1	0	437.471	3.285	1	0		IGAFRM
C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)[O-]	ZINC000048999876	563135208	/nfs/dbraw/zinc/13/52/08/563135208.db2.gz	INKBIYCOCZFJON-QZTJIDSGSA-N	-1	0	437.930	3.051	1	0		IGAFRM
CCCS(=O)(=O)[N-]C(=O)[C@@]1(C)CCCN(C(=O)c2cc(-c3cccs3)oc2C)C1	ZINC000061895338	563147107	/nfs/dbraw/zinc/14/71/07/563147107.db2.gz	IJNMKDDCIZOGGU-FQEVSTJZSA-N	-1	0	438.571	3.415	3	0		IGAFRM
CC[C@@H](CC(=O)[O-])n1c(=O)c2ccncc2n(Cc2nsc3cc(C)cc(C)c32)c1=O	ZINC000096170058	563195555	/nfs/dbraw/zinc/19/55/55/563195555.db2.gz	XWMWMZSXZMVLOD-AWEZNQCLSA-N	-1	0	438.509	3.259	1	0		IGAFRM
O=C(NCc1ccccc1Cl)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O	ZINC000003630218	562936988	/nfs/dbraw/zinc/93/69/88/562936988.db2.gz	ISFQCEYOUJWELC-OAHLLOKOSA-N	-1	0	429.929	3.448	1	0		IGAFRM
CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@@H]1CCCCCCCCCCNC1=O)P(=O)([O-])[O-]	ZINC000003785373	562937749	/nfs/dbraw/zinc/93/77/49/562937749.db2.gz	JANOCMLVAXHACE-QYZOEREBSA-N	-1	0	447.557	3.030	1	0		IGAFRM
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)Nc2cccc(CC(=O)[O-])n2)n1	ZINC000003786732	562937905	/nfs/dbraw/zinc/93/79/05/562937905.db2.gz	FYLZOSXWARIMAR-UHFFFAOYSA-N	-1	0	449.463	3.406	1	0		IGAFRM
CN1[C@@H]2CC[C@H]1CN(c1cc3c(cc1F)c(=O)c(C(=O)[O-])cn3-c1ccc(F)cc1)C2	ZINC000013650299	562999098	/nfs/dbraw/zinc/99/90/98/562999098.db2.gz	PZVYAIIEIVMFHO-IYBDPMFKSA-N	-1	0	425.435	3.250	1	0		IGAFRM
O=C([O-])CCc1cc(CCNS(=O)(=O)c2ccc(F)cc2)cc(Cc2cccnc2)c1	ZINC000013765915	563005591	/nfs/dbraw/zinc/00/55/91/563005591.db2.gz	KLQPDNUPUFPWKN-UHFFFAOYSA-N	-1	0	442.512	3.350	1	0		IGAFRM
COc1ccc(Br)cc1S(=O)(=O)[N-]c1onc(C)c1Br	ZINC000026482548	563032357	/nfs/dbraw/zinc/03/23/57/563032357.db2.gz	ZLOHPGJKHJCBHZ-UHFFFAOYSA-N	-1	0	426.086	3.317	1	0		IGAFRM
COc1cc2nc(N3CCC(Nc4ccc(C(=O)[O-])cc4)CC3)nc(OC)c2cc1OC	ZINC000027526014	563043281	/nfs/dbraw/zinc/04/32/81/563043281.db2.gz	IVGUUYKQQINSQT-UHFFFAOYSA-N	-1	0	438.484	3.435	1	0		IGAFRM
Cn1c2sc(Cc3ccc(F)cc3)nc2c([O-])c(C(=O)NCc2ccc(F)cc2)c1=O	ZINC000035010340	563088781	/nfs/dbraw/zinc/08/87/81/563088781.db2.gz	ANMJGKZYSRNOSY-UHFFFAOYSA-N	-1	0	441.459	3.500	1	0		IGAFRM
CCCCOC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000039614011	563099182	/nfs/dbraw/zinc/09/91/82/563099182.db2.gz	WJRPIZMLDXELKJ-UHFFFAOYSA-N	-1	0	431.464	3.232	1	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2)CCN1C(=O)C1(c2ccc(Cl)cc2)CCC1	ZINC000061903742	563148013	/nfs/dbraw/zinc/14/80/13/563148013.db2.gz	OTQSZMLNYYLPML-NRFANRHFSA-N	-1	0	446.956	3.258	3	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccs2)CCN1C(=O)Cc1ccc(Cl)cc1Cl	ZINC000061928554	563150375	/nfs/dbraw/zinc/15/03/75/563150375.db2.gz	GXXFVKDIVVCODV-KRWDZBQOSA-N	-1	0	447.365	3.094	3	0		IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000169367605	581096061	/nfs/dbraw/zinc/09/60/61/581096061.db2.gz	YEXQQQZDCCDPJD-RQSWOZRGSA-N	-1	0	431.529	3.200	1	0		IGAFRM
O=C([O-])c1[nH]c2ccccc2c1CC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1	ZINC000004057749	562941373	/nfs/dbraw/zinc/94/13/73/562941373.db2.gz	VIDRNYZGJGFGQK-UHFFFAOYSA-N	-1	0	440.931	3.000	3	0		IGAFRM
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C(=O)c4cccc(C)c4)CC3)cc21	ZINC000009601940	562974001	/nfs/dbraw/zinc/97/40/01/562974001.db2.gz	ZTIBGKLIQHCSNR-UHFFFAOYSA-N	-1	0	437.471	3.130	1	0		IGAFRM
C[C@@H](O)CCCCN1c2ccccc2O[C@@H](CCOc2ccccc2CC(=O)[O-])C1=O	ZINC000012358416	562981735	/nfs/dbraw/zinc/98/17/35/562981735.db2.gz	BDLDSSMAHRDDGB-VGSWGCGISA-N	-1	0	427.497	3.428	1	0		IGAFRM
CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N[C@H](C)C(=O)[O-]	ZINC000013537710	562992562	/nfs/dbraw/zinc/99/25/62/562992562.db2.gz	JTOZWTDCDPQQIV-INTSVSHNSA-N	-1	0	444.572	3.113	1	0		IGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccc(Br)cc1	ZINC000013807305	563008644	/nfs/dbraw/zinc/00/86/44/563008644.db2.gz	ZMELRSSTECEKFZ-ZBFHGGJFSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])c1cc2ccc(Br)cc2c(CCn2cnc3c2NC=NC[C@@H]3O)c1	ZINC000013861924	563012903	/nfs/dbraw/zinc/01/29/03/563012903.db2.gz	AJEMOPXEMMOAAC-INIZCTEOSA-N	-1	0	429.274	3.227	1	0		IGAFRM
O=C([O-])CC[C@@H](NC(=O)c1ccc2ccccc2c1)C(=O)NN1CCC2(CCCC2)CC1	ZINC000027211480	563041069	/nfs/dbraw/zinc/04/10/69/563041069.db2.gz	FDOWAHFNCKHPNF-OAQYLSRUSA-N	-1	0	437.540	3.490	1	0		IGAFRM
O=C([O-])c1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1	ZINC000028817869	563064889	/nfs/dbraw/zinc/06/48/89/563064889.db2.gz	WBJINALOSAXWSN-INIZCTEOSA-N	-1	0	443.308	3.483	1	0		IGAFRM
Cc1cc(C)c(NC(=O)OCc2ccccc2)c(C(=O)N[C@H](CC(=O)[O-])C(=O)CF)c1	ZINC000028825308	563066242	/nfs/dbraw/zinc/06/62/42/563066242.db2.gz	AIDRUUBHVQWYRZ-QGZVFWFLSA-N	-1	0	430.432	3.164	1	0		IGAFRM
O=C([O-])c1cccc(C(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1	ZINC000036330685	563092917	/nfs/dbraw/zinc/09/29/17/563092917.db2.gz	CLOXGPRROIYAAA-UHFFFAOYSA-N	-1	0	425.529	3.257	1	0		IGAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2ccc(C)cc2)cc1OC	ZINC000040407210	563101402	/nfs/dbraw/zinc/10/14/02/563101402.db2.gz	LIAOTEQQTPWSMG-NUCSPZLJSA-N	-1	0	426.469	3.014	1	0		IGAFRM
Cc1ccc2c(ccc(C(=O)NCCCNC(=O)c3ccc4[nH]c(C)ccc-4c3=O)c2[O-])n1	ZINC000040876838	563109483	/nfs/dbraw/zinc/10/94/83/563109483.db2.gz	ZXOFUGNADSLZBM-UHFFFAOYSA-N	-1	0	444.491	3.361	1	0		IGAFRM
COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)[O-])C(=O)Nc2cccc(Cl)c2)cc1OC	ZINC000040915759	563111328	/nfs/dbraw/zinc/11/13/28/563111328.db2.gz	NRHWNPMAXZZLFZ-JEJOPICUSA-N	-1	0	446.887	3.359	1	0		IGAFRM
O=C([O-])CCCCCCCCCCC(=O)OC[C@H]1CC[C@@H](n2cnc3c2nc[nH]c3=O)O1	ZINC000045283769	563127989	/nfs/dbraw/zinc/12/79/89/563127989.db2.gz	QQSZQVOHLVGLES-SJORKVTESA-N	-1	0	448.520	3.326	1	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)CCN1C(=O)C/C=C/c1ccccc1	ZINC000061907515	563148803	/nfs/dbraw/zinc/14/88/03/563148803.db2.gz	XCRSFSYYOYPNON-OWLMGLOSSA-N	-1	0	432.929	3.239	3	0		IGAFRM
CCC(CC)O[C@@H]1CC(C(=O)[O-])=C[C@H](n2cc(CCc3ccccc3)nn2)[C@H]1NC(C)=O	ZINC000064527983	563154675	/nfs/dbraw/zinc/15/46/75/563154675.db2.gz	OTTYKOWFBYUNHY-YTFSRNRJSA-N	-1	0	440.544	3.098	1	0		IGAFRM
CCC(CC)NC(=O)c1nnn(-c2ccccc2)c1[N-]S(=O)(=O)c1ccc(C)cc1	ZINC000073159124	563169267	/nfs/dbraw/zinc/16/92/67/563169267.db2.gz	ZAEOSRJQGLBEGF-UHFFFAOYSA-N	-1	0	427.530	3.295	1	0		IGAFRM
CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1	ZINC000073223174	563170869	/nfs/dbraw/zinc/17/08/69/563170869.db2.gz	LMULWMIHUXAPGS-NEPJUHHUSA-N	-1	0	445.472	3.065	1	0		IGAFRM
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)c1	ZINC000084713907	563177893	/nfs/dbraw/zinc/17/78/93/563177893.db2.gz	CEGXWHBGBGQDIW-FDFHNCONSA-N	-1	0	444.443	3.445	1	0		IGAFRM
COc1ccc2c(c1)c(C)c(CCC(=O)[N-]S(C)(=O)=O)n2C(=O)c1ccc(Cl)cc1	ZINC000095585100	563188747	/nfs/dbraw/zinc/18/87/47/563188747.db2.gz	PLYKGAOPLXCEPT-UHFFFAOYSA-N	-1	0	448.928	3.309	1	0		IGAFRM
COc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C[C@H]2CCCO2)c3=O)c(OC)c1	ZINC000003631971	562937018	/nfs/dbraw/zinc/93/70/18/562937018.db2.gz	GALXMHNCUFRQJX-OAHLLOKOSA-N	-1	0	441.509	3.134	1	0		IGAFRM
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(=O)c2ccccc2)cc1	ZINC000013778473	563006020	/nfs/dbraw/zinc/00/60/20/563006020.db2.gz	QWWYGFMPRICJFQ-JOCHJYFZSA-N	-1	0	448.500	3.373	1	0		IGAFRM
O=C([O-])[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1cccc(Br)c1	ZINC000013807291	563008504	/nfs/dbraw/zinc/00/85/04/563008504.db2.gz	DYWCQKFPKGFRJQ-HOCLYGCPSA-N	-1	0	435.322	3.247	1	0		IGAFRM
COc1ccccc2c(S(=O)(=O)NCCc3ccc(OCC(=O)[O-])cc3)cc(C)c1-2	ZINC000013826255	563010525	/nfs/dbraw/zinc/01/05/25/563010525.db2.gz	AFXSVCGKHDCNTF-UHFFFAOYSA-N	-1	0	429.494	3.093	1	0		IGAFRM
O=C([O-])Cc1nn(Cc2nc3ccc(Br)cc3s2)c(=O)c2ccccc12	ZINC000013860754	563012576	/nfs/dbraw/zinc/01/25/76/563012576.db2.gz	IFJLHPSUTVVIOI-UHFFFAOYSA-N	-1	0	430.283	3.444	1	0		IGAFRM
O=C([O-])c1ccc(C(=O)OC[C@@H]2[C@H](Cc3ccccc3)C(=O)N2C(=O)c2ccccc2)cc1	ZINC000013862670	563013109	/nfs/dbraw/zinc/01/31/09/563013109.db2.gz	FUIJJPGTKXTOCC-FCHUYYIVSA-N	-1	0	443.455	3.452	1	0		IGAFRM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	ZINC000016007506	563020703	/nfs/dbraw/zinc/02/07/03/563020703.db2.gz	LNENLABLFGGAFF-FKBYEOEOSA-N	-1	0	446.503	3.300	1	0		IGAFRM
CC(C)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)NN2CCC3(CCCC3)CC2)cc1	ZINC000027213777	563041057	/nfs/dbraw/zinc/04/10/57/563041057.db2.gz	QILDUUBHILTMNL-HXUWFJFHSA-N	-1	0	429.561	3.461	1	0		IGAFRM
O=c1n(Cc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1S(=O)(=O)[O-]	ZINC000028569623	563058903	/nfs/dbraw/zinc/05/89/03/563058903.db2.gz	AINWMTYSMYTJKD-UHFFFAOYSA-N	-1	0	434.477	3.023	1	0		IGAFRM
O=C([O-])C[C@H](NC(=O)OCc1ccccc1)C(=O)COC(=O)Cc1ccc2ccccc2c1	ZINC000058583224	563145227	/nfs/dbraw/zinc/14/52/27/563145227.db2.gz	NJVHZXTYTSXIDW-NRFANRHFSA-N	-1	0	449.459	3.264	1	0		IGAFRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN1C(=O)C1(c2ccc(Cl)cc2)CC1	ZINC000061907065	563148741	/nfs/dbraw/zinc/14/87/41/563148741.db2.gz	BIZIZQZYRVCDDZ-OAQYLSRUSA-N	-1	0	446.956	3.176	3	0		IGAFRM
Cc1ccccc1S(=O)(=O)[N-]C(=O)[C@@]1(C)CCN1C(=O)C1(c2ccccc2)CCCC1	ZINC000061928750	563150341	/nfs/dbraw/zinc/15/03/41/563150341.db2.gz	KNTUNPDPDCEIFU-HSZRJFAPSA-N	-1	0	440.565	3.303	3	0		IGAFRM
C[C@]1(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)C/C=C/c1ccccc1	ZINC000061930547	563150652	/nfs/dbraw/zinc/15/06/52/563150652.db2.gz	GCHCNZOVYNTQJG-WKOQKXSESA-N	-1	0	432.929	3.239	3	0		IGAFRM
COc1cc(-c2cnc(N)c(N3CC[C@@H](C(=O)[O-])C[C@H]3C(C)C)n2)cc(OC)c1OC	ZINC000064436831	563153040	/nfs/dbraw/zinc/15/30/40/563153040.db2.gz	HUMDHAUOLYSYKZ-CJNGLKHVSA-N	-1	0	430.505	3.077	1	0		IGAFRM
CCC(CC)O[C@@H]1C[C@H](C(=O)[O-])C=C(n2cc(CCc3ccccc3)nn2)[C@H]1NC(C)=O	ZINC000064526931	563154405	/nfs/dbraw/zinc/15/44/05/563154405.db2.gz	LPDGAXHDUXJNCT-SXSPYAJSSA-N	-1	0	440.544	3.087	1	0		IGAFRM
CCC(CC)O[C@@H]1C[C@@H](C(=O)[O-])C=C(n2cc(CCc3ccccc3)nn2)[C@H]1NC(C)=O	ZINC000064526932	563154444	/nfs/dbraw/zinc/15/44/44/563154444.db2.gz	LPDGAXHDUXJNCT-CDNPAEQRSA-N	-1	0	440.544	3.087	1	0		IGAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](C(=O)[O-])[C@H]3COC[C@@H]32)OCO4)cc(OC)c1OC	ZINC000064539090	563154952	/nfs/dbraw/zinc/15/49/52/563154952.db2.gz	CUGSLRQYJLSAJU-VUEDXXQZSA-N	-1	0	428.437	3.017	1	0		IGAFRM
O=C1c2ccccc2CN1[C@@H]1CCC(=O)N(CSC(=S)[N-]C2CCCCC2)C1=O	ZINC000072175684	563165540	/nfs/dbraw/zinc/16/55/40/563165540.db2.gz	POXXVGMGQXWICZ-QGZVFWFLSA-N	-1	0	431.583	3.058	1	0		IGAFRM
COCCN(c1ncc(Cl)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)[O-])C1	ZINC000072317226	563168473	/nfs/dbraw/zinc/16/84/73/563168473.db2.gz	VDOHIOCTBLQCOZ-HNNXBMFYSA-N	-1	0	432.883	3.319	1	0		IGAFRM
COc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2ON1c1ccccc1	ZINC000084671969	563175494	/nfs/dbraw/zinc/17/54/94/563175494.db2.gz	UZQXSLFMIBBIJF-FSSWDIPSSA-N	-1	0	444.443	3.445	1	0		IGAFRM
O=C([O-])C(=O)Nc1ccc(NC(=O)[C@H](CC2CCCC2)n2cnc(C(F)(F)F)c2)nc1	ZINC000095554745	563181215	/nfs/dbraw/zinc/18/12/15/563181215.db2.gz	UIPQUPAUXQPGNS-ZDUSSCGKSA-N	-1	0	439.394	3.080	1	0		IGAFRM
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@H](CC(C)C)C(=O)[O-])C(=O)OC2	ZINC000096937310	563199566	/nfs/dbraw/zinc/19/95/66/563199566.db2.gz	LSJYQLWMSSUPMX-JIOITTSWSA-N	-1	0	433.501	3.264	1	0		IGAFRM
CC(C)C[C@H](CC(=O)[O-])C(=O)N[C@H]1Cc2cn(c3ccccc23)CCCCCCNC1=O	ZINC000003811056	562938372	/nfs/dbraw/zinc/93/83/72/562938372.db2.gz	AKWKBACKRMYPRV-NQIIRXRSSA-N	-1	0	441.572	3.496	1	0	in-vivo	IGAFRM
COc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2F)[C@H](C)C(=O)[O-])cc1	ZINC000013440888	562986330	/nfs/dbraw/zinc/98/63/30/562986330.db2.gz	GCXPWTLINLEUET-LLVKDONJSA-N	-1	0	446.294	3.261	1	0		IGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)Cc1cccc(Br)c1	ZINC000013807294	563008648	/nfs/dbraw/zinc/00/86/48/563008648.db2.gz	DYWCQKFPKGFRJQ-GDBMZVCRSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])[C@@H](Cc1ccc(I)cc1)NC(=O)c1ccc(Cl)cc1	ZINC000017139405	563021380	/nfs/dbraw/zinc/02/13/80/563021380.db2.gz	ZXOATKGVRNNONJ-CQSZACIVSA-N	-1	0	429.641	3.370	1	0		IGAFRM
O=C([O-])[C@H]1CCCN1C(=O)C[C@H](SC(=O)c1ccccc1)C(=O)c1ccc(F)cc1	ZINC000027309698	563041280	/nfs/dbraw/zinc/04/12/80/563041280.db2.gz	NXIPMBCZAZWEQB-MSOLQXFVSA-N	-1	0	429.469	3.416	1	0		IGAFRM
CC(=O)Nc1nc(C)c(-c2cnc(F)c([N-]S(=O)(=O)c3sc(C)nc3C)c2)s1	ZINC000035998145	563090728	/nfs/dbraw/zinc/09/07/28/563090728.db2.gz	IGQXOMRFMBZFBD-UHFFFAOYSA-N	-1	0	441.535	3.485	1	0	in-vitro	IGAFRM
Cn1cc(C(=O)[O-])c(=O)c2cc(O)c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc21	ZINC000040899365	563110811	/nfs/dbraw/zinc/11/08/11/563110811.db2.gz	IADJCVZQSUKRDA-UHFFFAOYSA-N	-1	0	447.413	3.288	1	0		IGAFRM
COc1ccc(-c2cc(-c3ccccc3)nc3ncnc(NC(=O)COCC(=O)[O-])c32)cc1	ZINC000063539388	563152256	/nfs/dbraw/zinc/15/22/56/563152256.db2.gz	JCUOWWYFVWFJDW-UHFFFAOYSA-N	-1	0	444.447	3.407	1	0		IGAFRM
O=S(=O)(c1ccccc1)N(c1cc(F)c([O-])c(F)c1)S(=O)(=O)c1ccccc1	ZINC000064454319	563153674	/nfs/dbraw/zinc/15/36/74/563153674.db2.gz	RPUUEQZLBVDJMD-UHFFFAOYSA-N	-1	0	425.434	3.255	1	0		IGAFRM
O=C([O-])c1ccccc1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872211	563194680	/nfs/dbraw/zinc/19/46/80/563194680.db2.gz	YNMSMNGDJVDVMD-QFIPXVFZSA-N	-1	0	440.455	3.421	1	0		IGAFRM
CCCC[C@@H](Cn1c(=O)c2cnccc2n(Cc2cn(C)c3cccc(C)c23)c1=O)C(=O)[O-]	ZINC000096170040	563195563	/nfs/dbraw/zinc/19/55/63/563195563.db2.gz	SWXBRSFBXDLOHD-KRWDZBQOSA-N	-1	0	448.523	3.298	1	0		IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21	ZINC000253701705	581096051	/nfs/dbraw/zinc/09/60/51/581096051.db2.gz	YEXQQQZDCCDPJD-GVVDHYSOSA-N	-1	0	431.529	3.200	1	0		IGAFRM
CCCCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000013256634	534960971	/nfs/dbraw/zinc/96/09/71/534960971.db2.gz	ZTJSHYXWNHFZLK-UHFFFAOYSA-N	-1	0	429.492	3.403	1	0		IGAFRM
COc1ccc(Cn2cnc3c2C[C@@H](C(=O)[O-])N(C(=O)[C@H](C)c2ccccc2)C3)cc1C	ZINC000013446746	562986992	/nfs/dbraw/zinc/98/69/92/562986992.db2.gz	FBFULINYKCLAMW-VGSWGCGISA-N	-1	0	433.508	3.390	1	0		IGAFRM
COc1ccccc1N1CCN(C(=O)Cc2c3cc(Cl)ccc3[nH]c2C(=O)[O-])CC1	ZINC000013521901	562991376	/nfs/dbraw/zinc/99/13/76/562991376.db2.gz	MOTOTQUKQKHMDB-UHFFFAOYSA-N	-1	0	427.888	3.419	3	0		IGAFRM
COC(=O)c1ccc([N-]S(=O)(=O)c2sc3ccccc3c2C)c(S(C)(=O)=O)c1	ZINC000013587576	562995737	/nfs/dbraw/zinc/99/57/37/562995737.db2.gz	CTISKWODTPFXJU-UHFFFAOYSA-N	-1	0	439.536	3.201	1	0		IGAFRM
CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(=O)[O-])CCCC3)C(=O)N2	ZINC000013588478	562996001	/nfs/dbraw/zinc/99/60/01/562996001.db2.gz	JSCOPDUWXRNDPX-ATVHPVEESA-N	-1	0	428.510	3.197	1	0		IGAFRM
COc1cc(OC)nc(O[C@H](C(=O)[O-])C(OC)(c2ccccc2F)c2ccccc2F)n1	ZINC000013756044	563004393	/nfs/dbraw/zinc/00/43/93/563004393.db2.gz	GDDNQACXSFFUGL-LJQANCHMSA-N	-1	0	446.406	3.194	1	0		IGAFRM
CC(C)c1nn(-c2cnccn2)c(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-]	ZINC000013861074	563012644	/nfs/dbraw/zinc/01/26/44/563012644.db2.gz	DPRJPRMZJGWLHY-HNGSOEQISA-N	-1	0	440.475	3.192	1	0	in-vitro	IGAFRM
CC(=O)N1CCC[C@H]2CN(c3c(F)cc4c(=O)c(C(=O)[O-])cn(C5CC5)c4c3Cl)C[C@H]21	ZINC000026944679	563038086	/nfs/dbraw/zinc/03/80/86/563038086.db2.gz	YESKEBKEAFHGOU-YVEFUNNKSA-N	-1	0	447.894	3.274	1	0		IGAFRM
COc1cc(C2=NN(C(=O)COc3ccccc3)[C@@H]3CCC[C@H]23)c(C)cc1OCC(=O)[O-]	ZINC000035003055	563088771	/nfs/dbraw/zinc/08/87/71/563088771.db2.gz	AJRNDBRFBAKLFK-PKOBYXMFSA-N	-1	0	438.480	3.261	1	0		IGAFRM
CNc1cccc(CCOc2cc(C[C@@H](CC(=O)[O-])c3ccc4c(c3)OCO4)on2)n1	ZINC000036269282	563092378	/nfs/dbraw/zinc/09/23/78/563092378.db2.gz	JRVUMBDCNCWNEP-HNNXBMFYSA-N	-1	0	425.441	3.263	1	0		IGAFRM
COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O)OC(C)(C)CC4)cc1S(=O)(=O)[O-]	ZINC000043077931	563118395	/nfs/dbraw/zinc/11/83/95/563118395.db2.gz	ASXSCWPVQXPLAZ-UHFFFAOYSA-N	-1	0	448.449	3.230	1	0		IGAFRM
CCC[C@H]1CN(c2nc(-c3cc(OC)c(OC)c(OC)c3)cnc2N)CC[C@H]1C(=O)[O-]	ZINC000064447922	563153304	/nfs/dbraw/zinc/15/33/04/563153304.db2.gz	IPSJPXNBIGFVLY-DZGCQCFKSA-N	-1	0	430.505	3.079	1	0		IGAFRM
COc1cc([C@@H]2c3cc4c(cc3[C@@H](C(=O)[O-])[C@H]3COC[C@H]32)OCO4)cc(OC)c1OC	ZINC000064539091	563154970	/nfs/dbraw/zinc/15/49/70/563154970.db2.gz	CUGSLRQYJLSAJU-IALDWUNLSA-N	-1	0	428.437	3.017	1	0		IGAFRM
CN([C@@H]1CCc2c(CC(=O)[O-])c3cc(F)ccc3n2C1)S(=O)(=O)c1ccc(F)cc1	ZINC000066099583	563158097	/nfs/dbraw/zinc/15/80/97/563158097.db2.gz	JVXQRIFGHAEUFO-OAHLLOKOSA-N	-1	0	434.464	3.182	1	0		IGAFRM
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H]([N-]C(=O)C(F)(F)F)C[C@H]2O	ZINC000084635144	563174847	/nfs/dbraw/zinc/17/48/47/563174847.db2.gz	HUYVGSBPTQXJBS-UONOGXRCSA-N	-1	0	427.375	3.242	1	0		IGAFRM
COc1ccc(-c2ocnc2-c2cc(OC)c(OC)c(OC)c2)c2ncn(CC(=O)[O-])c21	ZINC000096931665	563198711	/nfs/dbraw/zinc/19/87/11/563198711.db2.gz	JGKBPKSNTTXBPL-UHFFFAOYSA-N	-1	0	439.424	3.477	1	0		IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21	ZINC000253701716	581096003	/nfs/dbraw/zinc/09/60/03/581096003.db2.gz	YEXQQQZDCCDPJD-TZMRYXNNSA-N	-1	0	431.529	3.200	1	0		IGAFRM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1	ZINC000000627432	132227968	/nfs/dbraw/zinc/22/79/68/132227968.db2.gz	FPTQRJBKCMEAEU-VQTJNVASSA-N	-1	0	433.508	3.255	3	0		IGAFRM
CCOC(=O)[C@H](Cc1ccc(OC(=O)c2ccc(OC)cc2)cc1)[N-]C(=O)C(F)(F)F	ZINC000001658945	562924167	/nfs/dbraw/zinc/92/41/67/562924167.db2.gz	QQLGGJVWQHSYBP-KRWDZBQOSA-N	-1	0	439.386	3.067	1	0		IGAFRM
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[n-]c(=S)n(C[C@H]1CCCO1)c2=O	ZINC000003631959	562936986	/nfs/dbraw/zinc/93/69/86/562936986.db2.gz	NWQDDUHCTMPDDX-MRXNPFEDSA-N	-1	0	429.929	3.448	1	0		IGAFRM
CN1c2ccccc2C(c2ccccc2)=N[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)C1=O	ZINC000003795082	562938146	/nfs/dbraw/zinc/93/81/46/562938146.db2.gz	BQXGDXMVEHGGNW-NRFANRHFSA-N	-1	0	428.448	3.346	1	0		IGAFRM
Cc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000013544141	562992708	/nfs/dbraw/zinc/99/27/08/562992708.db2.gz	PHWFUOBMUZKVKW-XZOQPEGZSA-N	-1	0	430.504	3.148	3	0		IGAFRM
COc1cc(OC)nc(O[C@@H](C(=O)[O-])C(OC)(c2cccc(F)c2)c2cccc(F)c2)n1	ZINC000013756034	563004354	/nfs/dbraw/zinc/00/43/54/563004354.db2.gz	WAZSLZZZKKHKKE-IBGZPJMESA-N	-1	0	446.406	3.194	1	0		IGAFRM
Cc1noc([N-]S(=O)(=O)c2ccccc2-c2ccc(S(=O)(=O)N(C)C)cc2)c1C	ZINC000013782428	563006813	/nfs/dbraw/zinc/00/68/13/563006813.db2.gz	LFHCHKHNRPXNCK-UHFFFAOYSA-N	-1	0	435.527	3.010	1	0		IGAFRM
CCC1(CC)C(=O)N(C(=O)NCc2ccccc2)[C@@H]1Oc1ccc([C@@H](O)C(=O)[O-])cc1	ZINC000027870168	563047661	/nfs/dbraw/zinc/04/76/61/563047661.db2.gz	RMZFEJHUEFKIBK-WIYYLYMNSA-N	-1	0	426.469	3.068	1	0		IGAFRM
CNc1cccc(CCOc2cc(C[C@H](CC(=O)[O-])c3ccc4c(c3)OCO4)on2)n1	ZINC000036269286	563092382	/nfs/dbraw/zinc/09/23/82/563092382.db2.gz	JRVUMBDCNCWNEP-OAHLLOKOSA-N	-1	0	425.441	3.263	1	0		IGAFRM
O=C([O-])c1ccc(OCCn2c(=O)on(CC(c3ccccc3)c3ccccc3)c2=O)cc1	ZINC000036310650	563092654	/nfs/dbraw/zinc/09/26/54/563092654.db2.gz	OQUWHKWPOLZCSG-UHFFFAOYSA-N	-1	0	446.459	3.212	1	0		IGAFRM
O=C([O-])c1ccc(C(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)cc1	ZINC000036330638	563092863	/nfs/dbraw/zinc/09/28/63/563092863.db2.gz	FFPLXOLVISJYSA-UHFFFAOYSA-N	-1	0	425.529	3.257	1	0		IGAFRM
CC(C)C[C@H](NC(=O)CCC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)[O-]	ZINC000040411263	563101776	/nfs/dbraw/zinc/10/17/76/563101776.db2.gz	LFFXCAIUGVSUKR-SFTDATJTSA-N	-1	0	444.572	3.259	1	0		IGAFRM
NC(=O)Cc1ccc(NC(=O)/C=C2\C[C@@H](C(=O)[O-])Nc3cc(Cl)cc(Cl)c32)cc1	ZINC000040718602	563106034	/nfs/dbraw/zinc/10/60/34/563106034.db2.gz	GPVLGJBGKMXGQG-BPLPYTOXSA-N	-1	0	434.279	3.312	1	0		IGAFRM
CCn1c(=O)c2cc3c(nc2nc1SCC(=O)Nc1ccc(C(=O)[O-])cc1)CCCC3	ZINC000045338269	563131652	/nfs/dbraw/zinc/13/16/52/563131652.db2.gz	VUOTYLYHWXXTFU-UHFFFAOYSA-N	-1	0	438.509	3.119	1	0		IGAFRM
CCCC[C@H](C(=O)[O-])n1c(=O)c2cnccc2n(Cc2cn(C)c3cccc(C)c23)c1=O	ZINC000068244695	563161369	/nfs/dbraw/zinc/16/13/69/563161369.db2.gz	MATNGFJEWXGCGE-HXUWFJFHSA-N	-1	0	434.496	3.223	1	0		IGAFRM
NC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2OS(=O)(=O)[O-])c1	ZINC000096273117	563196873	/nfs/dbraw/zinc/19/68/73/563196873.db2.gz	DPVWUGWSZJOOFF-UHFFFAOYSA-N	-1	0	434.470	3.055	1	0		IGAFRM
CCCc1nc([C@@H](C)O)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1	ZINC000013745661	563003910	/nfs/dbraw/zinc/00/39/10/563003910.db2.gz	XHOWFCWWVKXYFG-CQSZACIVSA-N	-1	0	432.484	3.483	1	0		IGAFRM
O=C([O-])C(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000013797792	563007550	/nfs/dbraw/zinc/00/75/50/563007550.db2.gz	PZNZBFBEAZCEQK-OAQYLSRUSA-N	-1	0	437.473	3.248	1	0		IGAFRM
CC(C)C[C@H](C[P@](=O)([O-])[C@H]([NH3+])c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000013807160	563008497	/nfs/dbraw/zinc/00/84/97/563008497.db2.gz	YLKFDKFPSCCFCF-HKBOAZHASA-N	-1	0	446.484	3.389	1	0		IGAFRM
COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\CCCC(=O)[O-])C[C@@H]31)O2	ZINC000026144522	563028928	/nfs/dbraw/zinc/02/89/28/563028928.db2.gz	VKZZNADKILHZFB-MKBBXXRYSA-N	-1	0	444.524	3.340	1	0		IGAFRM
O=C([O-])[C@H]1CCCN1C(=O)C[C@@H](SC(=O)c1ccccc1)C(=O)c1ccc(F)cc1	ZINC000027309688	563041309	/nfs/dbraw/zinc/04/13/09/563041309.db2.gz	NXIPMBCZAZWEQB-QZTJIDSGSA-N	-1	0	429.469	3.416	1	0		IGAFRM
COC(=O)c1cc(-c2ccc(/C=C3\SC(=O)N(CCC(=O)[O-])C3=O)s2)ccc1O	ZINC000029045730	563072497	/nfs/dbraw/zinc/07/24/97/563072497.db2.gz	QVMNWGOAVSGSIR-DHDCSXOGSA-N	-1	0	433.463	3.418	1	0		IGAFRM
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])CCN1C(=O)Cc1ccc(F)cc1	ZINC000035970398	563090525	/nfs/dbraw/zinc/09/05/25/563090525.db2.gz	HETDCNLHSCWGNG-HNNXBMFYSA-N	-1	0	434.895	3.218	1	0		IGAFRM
Cc1cccc(S(=O)(=O)[N-]C(=O)[C@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)c1	ZINC000061929203	563150439	/nfs/dbraw/zinc/15/04/39/563150439.db2.gz	CEHBBGXSQDMHNK-NRFANRHFSA-N	-1	0	446.956	3.176	3	0		IGAFRM
Cc1ccc(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)C2(c3ccc(Cl)cc3)CC2)cc1	ZINC000061929729	563150469	/nfs/dbraw/zinc/15/04/69/563150469.db2.gz	WHZQWLRJOAVVFV-OAQYLSRUSA-N	-1	0	446.956	3.176	3	0		IGAFRM
COc1nc2c(cc1NCc1cccc(F)c1)c(=O)c(C(=O)[O-])cn2[C@H](CO)C(C)C	ZINC000066112092	563159001	/nfs/dbraw/zinc/15/90/01/563159001.db2.gz	YDGTZLVSWWOVLP-GOSISDBHSA-N	-1	0	429.448	3.044	1	0		IGAFRM
O=C([O-])/C=C1\CN(Cc2ccc(Br)cc2F)S(=O)(=O)c2ccccc21	ZINC000082157040	563173775	/nfs/dbraw/zinc/17/37/75/563173775.db2.gz	LZDZXXPHCOCTTE-KPKJPENVSA-N	-1	0	426.263	3.261	1	0		IGAFRM
C[C@@H](C(=O)NCc1ccc(C(C)(C)C)cc1)c1ccc(NS(C)(=O)=O)c(C(=O)[O-])c1	ZINC000084708918	563177113	/nfs/dbraw/zinc/17/71/13/563177113.db2.gz	ZWYVJWLNWNOOGH-CQSZACIVSA-N	-1	0	432.542	3.474	1	0		IGAFRM
CC(C)(C)OC(=O)N1CCC(c2cc(=O)n3[n-]cc(C(=O)NC4CCCC4)c3n2)CC1	ZINC000013118802	562984628	/nfs/dbraw/zinc/98/46/28/562984628.db2.gz	CDXMGMHJHWWLOO-UHFFFAOYSA-N	-1	0	429.521	3.222	1	0		IGAFRM
CN([C@@H]1CCc2c(c3ccccc3n2CCC(=O)[O-])C1)S(=O)(=O)c1ccc(F)cc1	ZINC000013608912	562997593	/nfs/dbraw/zinc/99/75/93/562997593.db2.gz	XKWVLGMVINJGLP-MRXNPFEDSA-N	-1	0	430.501	3.433	1	0		IGAFRM
O=C([O-])[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)Cc1ccccc1Br	ZINC000013807277	563008511	/nfs/dbraw/zinc/00/85/11/563008511.db2.gz	WFXQCDCLSNIHRG-ZBFHGGJFSA-N	-1	0	435.322	3.247	1	0		IGAFRM
O=C([O-])C(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2oc3ccccc3c2c1	ZINC000027518842	563042577	/nfs/dbraw/zinc/04/25/77/563042577.db2.gz	PVTAZXXDKDMCRE-IBGZPJMESA-N	-1	0	435.457	3.355	1	0		IGAFRM
COc1cc(C2=NN(C(=O)COc3ccccc3)[C@@H]3CCC[C@@H]23)c(C)cc1OCC(=O)[O-]	ZINC000035003058	563088791	/nfs/dbraw/zinc/08/87/91/563088791.db2.gz	AJRNDBRFBAKLFK-IEBWSBKVSA-N	-1	0	438.480	3.261	1	0		IGAFRM
CCCCOc1ccc(-c2ccc(CC[C@]([NH3+])(CO)COP(=O)([O-])[O-])cc2)cc1F	ZINC000035998138	563090748	/nfs/dbraw/zinc/09/07/48/563090748.db2.gz	ULMHODUJXJVNJF-NRFANRHFSA-N	-1	0	441.436	3.403	1	0		IGAFRM
NS(=O)(=O)c1cc(S(=O)(=O)[O-])c(NCc2ccco2)cc1SC1CCCCC1	ZINC000039346356	563099200	/nfs/dbraw/zinc/09/92/00/563099200.db2.gz	NUVIWHFDMZNPEW-UHFFFAOYSA-N	-1	0	446.572	3.211	1	0		IGAFRM
O=C([O-])c1ccc(Cn2nnc(-c3ccnc(C(=O)NCc4ccc(Cl)cc4)c3)n2)cc1	ZINC000045364749	563132972	/nfs/dbraw/zinc/13/29/72/563132972.db2.gz	ZJTQSZOSAUVIRT-UHFFFAOYSA-N	-1	0	448.870	3.065	1	0		IGAFRM
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccccc2)n(C)c(=O)n3C)cc1	ZINC000046009536	563134939	/nfs/dbraw/zinc/13/49/39/563134939.db2.gz	KQJPZLNOKCNFSE-UHFFFAOYSA-N	-1	0	439.493	3.479	1	0	in-vitro	IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2cccc(F)c2)CCN1C(=O)c1cccc2ccccc21	ZINC000061895774	563147185	/nfs/dbraw/zinc/14/71/85/563147185.db2.gz	WASDRRWSGYXMFU-QFIPXVFZSA-N	-1	0	426.469	3.089	3	0		IGAFRM
C[C@@]1(C(=O)[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CCN1C(=O)CCC1CCCC1	ZINC000061927662	563150186	/nfs/dbraw/zinc/15/01/86/563150186.db2.gz	GBIWXWFIGOSKKX-IBGZPJMESA-N	-1	0	446.491	3.472	3	0		IGAFRM
Nc1cccc(N2CCN(c3ncc(C([O-])(C(F)(F)F)C(F)(F)F)s3)CC2)c1	ZINC000064540275	563155266	/nfs/dbraw/zinc/15/52/66/563155266.db2.gz	BLOOOKDVZQKAGR-UHFFFAOYSA-N	-1	0	426.386	3.364	1	0		IGAFRM
CN([C@@H]1CCc2c(CC(=O)[O-])c3ccccc3n2C1)S(=O)(=O)Cc1ccc(F)cc1	ZINC000066104513	563158662	/nfs/dbraw/zinc/15/86/62/563158662.db2.gz	GKCUCOILFCQCEO-QGZVFWFLSA-N	-1	0	430.501	3.184	1	0		IGAFRM
Cc1cccc(C[C@H](O)/C=C/[C@H]2CCC(=O)N2CCSc2nc(C(=O)[O-])cs2)c1	ZINC000082158369	563173986	/nfs/dbraw/zinc/17/39/86/563173986.db2.gz	SPMAVWPLKMHZJS-FKQXODTLSA-N	-1	0	432.567	3.393	1	0		IGAFRM
Cc1noc([N-]S(=O)(=O)c2ccsc2C(=O)Oc2ccc3c(c2)OCO3)c1Cl	ZINC000013815640	563009334	/nfs/dbraw/zinc/00/93/34/563009334.db2.gz	JBQRAWXTTIKPRD-UHFFFAOYSA-N	-1	0	442.858	3.447	1	0		IGAFRM
CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)N[C@H]1CCCCCCCCCCNC1=O)P(=O)([O-])[O-]	ZINC000013890296	563013883	/nfs/dbraw/zinc/01/38/83/563013883.db2.gz	JANOCMLVAXHACE-FHWLQOOXSA-N	-1	0	447.557	3.030	1	0		IGAFRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@@H]1CN1C(=O)c2ccccc2C1=O	ZINC000016007508	563020649	/nfs/dbraw/zinc/02/06/49/563020649.db2.gz	LNENLABLFGGAFF-VSKRKVRLSA-N	-1	0	446.503	3.300	1	0		IGAFRM
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])c2n3[C@H](c3ccccc3)S2)CC1	ZINC000027524662	563043047	/nfs/dbraw/zinc/04/30/47/563043047.db2.gz	QJCQBXDZCGETSF-FQEVSTJZSA-N	-1	0	425.485	3.243	1	0		IGAFRM
Cc1nn(Cc2ccccc2)c(=O)c2nc(CCC(=O)[O-])n3nc(-c4ccccc4)cc3c12	ZINC000028523137	563056216	/nfs/dbraw/zinc/05/62/16/563056216.db2.gz	SFQRKJCQNRVGOJ-UHFFFAOYSA-N	-1	0	439.475	3.480	1	0		IGAFRM
O=S(=O)([N-]N1C(=S)S[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H]1O)c1ccccc1	ZINC000028569048	563058588	/nfs/dbraw/zinc/05/85/88/563058588.db2.gz	SLTXEPXZNKTMAJ-LSDHHAIUSA-N	-1	0	449.406	3.450	1	0		IGAFRM
O=S(=O)([N-]N1C(=S)S[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]1O)c1ccccc1	ZINC000028569049	563058630	/nfs/dbraw/zinc/05/86/30/563058630.db2.gz	SLTXEPXZNKTMAJ-GJZGRUSLSA-N	-1	0	449.406	3.450	1	0		IGAFRM
O=C([O-])C[C@@H](NC(=O)c1cc(Cl)ccc1NC(=O)OCc1ccccc1)C(=O)CF	ZINC000028825311	563066277	/nfs/dbraw/zinc/06/62/77/563066277.db2.gz	JITOQWXUHZCKLJ-MRXNPFEDSA-N	-1	0	436.823	3.200	1	0		IGAFRM
CC(C)C(=O)N(Cc1nccn1C)c1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1	ZINC000036184779	563091786	/nfs/dbraw/zinc/09/17/86/563091786.db2.gz	ZOPDTZDAOOCUGI-UHFFFAOYSA-N	-1	0	430.374	3.378	1	0		IGAFRM
CC(C)(C)c1ccc(CC(=O)N2CC[C@@]2(C)C(=O)[N-]S(=O)(=O)c2ccccc2)cc1	ZINC000061905397	563148342	/nfs/dbraw/zinc/14/83/42/563148342.db2.gz	NNLFNVHBZFGUPQ-QHCPKHFHSA-N	-1	0	428.554	3.023	3	0		IGAFRM
CCC(C)(C)C(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C2CC2)CC1	ZINC000095575988	563185854	/nfs/dbraw/zinc/18/58/54/563185854.db2.gz	ZUUCCVQLTUKMNS-UHFFFAOYSA-N	-1	0	429.492	3.259	1	0		IGAFRM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2[C@H]1CN1C(=O)c2ccccc2C1=O	ZINC000095872205	563194661	/nfs/dbraw/zinc/19/46/61/563194661.db2.gz	LNENLABLFGGAFF-YPAWHYETSA-N	-1	0	446.503	3.300	1	0	in-vitro	IGAFRM
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@H]21	ZINC000028756969	581096076	/nfs/dbraw/zinc/09/60/76/581096076.db2.gz	YEXQQQZDCCDPJD-MLZLACJZSA-N	-1	0	431.529	3.200	1	0		IGAFRM
O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[n-]c(=S)n(C[C@@H]1CCCO1)c2=O	ZINC000003631961	562937039	/nfs/dbraw/zinc/93/70/39/562937039.db2.gz	NWQDDUHCTMPDDX-INIZCTEOSA-N	-1	0	429.929	3.448	1	0		IGAFRM
Cc1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1	ZINC000013544135	562992687	/nfs/dbraw/zinc/99/26/87/562992687.db2.gz	PHWFUOBMUZKVKW-PKTZIBPZSA-N	-1	0	430.504	3.148	3	0		IGAFRM
COc1ccc2c(c1)C(=O)N(Cc1ccc(Br)cc1F)C(=O)[C@@H]2CC(=O)[O-]	ZINC000013601251	562996814	/nfs/dbraw/zinc/99/68/14/562996814.db2.gz	FBHMTMQCCJIXDA-OAHLLOKOSA-N	-1	0	436.233	3.338	1	0		IGAFRM
O=C([O-])c1cc2ccc(Br)cc2c(CCn2cnc3c2NC=NC[C@H]3O)c1	ZINC000013861923	563012912	/nfs/dbraw/zinc/01/29/12/563012912.db2.gz	AJEMOPXEMMOAAC-MRXNPFEDSA-N	-1	0	429.274	3.227	1	0		IGAFRM
O=C([O-])CN1C(=O)[C@]2(CC(=O)N(Cc3cc(Cl)ccc3F)C2)c2cc(Cl)ccc21	ZINC000014976802	563017079	/nfs/dbraw/zinc/01/70/79/563017079.db2.gz	ABVCZPJCOYQLBK-FQEVSTJZSA-N	-1	0	437.254	3.234	1	0		IGAFRM
[NH3+]CCCC[C@H](C[P@](=O)([O-])CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000026248580	563029964	/nfs/dbraw/zinc/02/99/64/563029964.db2.gz	YMWSZSQXNKPFPB-UXHICEINSA-N	-1	0	438.505	3.101	1	0		IGAFRM
CN(C(=O)OC(C)(C)C)C1=C([O-])[C@@](CCc2ccccc2)(C(=O)NC(C)(C)C)OC1=O	ZINC000026841451	563037495	/nfs/dbraw/zinc/03/74/95/563037495.db2.gz	DSWAYLHGYRWPGK-QHCPKHFHSA-N	-1	0	432.517	3.466	1	0		IGAFRM
O=C([O-])[C@@H]1CCCN1C(=O)C[C@H](SC(=O)c1ccccc1)C(=O)c1ccc(F)cc1	ZINC000027309693	563041319	/nfs/dbraw/zinc/04/13/19/563041319.db2.gz	NXIPMBCZAZWEQB-ROUUACIJSA-N	-1	0	429.469	3.416	1	0		IGAFRM
O=S(=O)([N-]N1C(=S)S[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H]1O)c1ccccc1	ZINC000028569047	563058610	/nfs/dbraw/zinc/05/86/10/563058610.db2.gz	SLTXEPXZNKTMAJ-CABCVRRESA-N	-1	0	449.406	3.450	1	0		IGAFRM
O=C([O-])c1ccc(Cn2cnc3cnc(C(=O)NCc4ccc(Cl)cc4)cc3c2=O)cc1	ZINC000029133014	563075838	/nfs/dbraw/zinc/07/58/38/563075838.db2.gz	URVUJTFFOUHNFN-UHFFFAOYSA-N	-1	0	448.866	3.121	1	0		IGAFRM
CC(=O)O[C@]1(C(=O)[O-])[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C(C)[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C	ZINC000040698701	563105966	/nfs/dbraw/zinc/10/59/66/563105966.db2.gz	BXUCFXRZHITJPF-HLGYXVFNSA-N	-1	0	434.504	3.380	1	0		IGAFRM
O=c1c([O-])c(-c2ncc(Cc3ccc(F)cc3)s2)nc2ccc(N3CCOCC3)cn12	ZINC000058592358	563145622	/nfs/dbraw/zinc/14/56/22/563145622.db2.gz	FBHOZTRRKYTTHS-UHFFFAOYSA-N	-1	0	438.484	3.090	1	0		IGAFRM
CC(C)(C(=O)N1CC[C@]1(C)C(=O)[N-]S(=O)(=O)c1ccccc1Cl)c1ccccc1	ZINC000061904090	563148107	/nfs/dbraw/zinc/14/81/07/563148107.db2.gz	YZPQACLEOSFMAV-OAQYLSRUSA-N	-1	0	434.945	3.114	3	0		IGAFRM
Cc1ccc(F)c(S(=O)(=O)[N-]C(=O)[C@@]2(C)CCN2C(=O)c2cccc3ccccc32)c1	ZINC000061907508	563148823	/nfs/dbraw/zinc/14/88/23/563148823.db2.gz	ZIXXEORAXLMUAF-HSZRJFAPSA-N	-1	0	440.496	3.397	3	0		IGAFRM
NS(=O)(=O)c1ccc(-c2cc(Cl)cc3c2O[C@H](C(F)(F)F)C(C(=O)[O-])=C3)cc1	ZINC000064573050	563156365	/nfs/dbraw/zinc/15/63/65/563156365.db2.gz	JGPRUEXSKNEPHR-HNNXBMFYSA-N	-1	0	433.791	3.446	1	0		IGAFRM